A Python API for accessing Scopus data

Installation

Feeling brave? Try:

pip install git+git://github.com/jkitchin/scopus

Get a Scopus API key

Using Scopus is not free. You need to have a license or institutional access to use it. Got to http://dev.elsevier.com/myapikey.html to register and get a key. scopus expects this key to be in a variable called MY_API_KEY defined in ~/.scopus/my_scopus.py. I recommend you create it like this.

MY_API_KEY = 'xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx'

Examples of usage

scopus_api

This module implements the http://dev.elsevier.com/retrieval.html API. The main entry point is the ScopusAbstract class, which takes a Scopus EID and an optional refresh boolean value. Retrieving these results is not fast, so we cache them to speed up subsequent uses of the code. Sometimes you may want new results, e.g. to get citation counts, and then you set refresh=True.

from scopus.scopus_api import ScopusAbstract

ab = ScopusAbstract("2-s2.0-84930616647", refresh=True)
print(ab)

2-s2.0-84930616647 John R. Kitchin, Examples of effective data sharing in scientific publishing, ACS Catalysis, 5(6), p. 3894-3899, (2015). http://dx.doi.org/10.1021/acscatal.5b00538, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930616647&origin=inward, cited 2 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University

You can print the abstract in a variety of formats, including LaTeX, bibtex, HTML, and RIS. Here is an example. For bibtex entries, you get a uuid for the key.

from scopus.scopus_api import ScopusAbstract

ab = ScopusAbstract("2-s2.0-84930616647")
print(ab.bibtex)
print(ab.ris)

@article{12b3dd94-d740-11e5-a03b-48d705e201bd,
  author = {John R. Kitchin},
  title = {Examples of effective data sharing in scientific publishing},
  journal = {ACS Catalysis},
  year = {2015},
  volume = {5},
  number = {6},
  pages = {3894-3899},
  doi = {10.1021/acscatal.5b00538}
}


TY  - JOUR
AU  - Kitchin J.R.
TI  - Examples of effective data sharing in scientific publishing
JO  - ACS Catalysis
VL  - 5
IS  - 6
DA  - 2015-06-05
SP  - 3894-3899
PY  - 2015
DO  - 10.1021/acscatal.5b00538
UR  - http://dx.doi.org/10.1021/acscatal.5b00538
ER  -

Interacting with the abstract

The abstract has a number of properties on it.

from scopus.scopus_api import ScopusAbstract

ab = ScopusAbstract("2-s2.0-84930616647")
print([x for x in dir(ab) if '__' not in x])

['affiliations', 'aggregationType', 'article_number', 'authors', 'authors_xml', 'bibtex', 'cite_link', 'citedby_count', 'coredata', 'coverDate', 'creator', 'description', 'doi', 'eid', 'endingPage', 'file', 'get_corresponding_author_info', 'html', 'identifier', 'issn', 'issueIdentifier', 'latex', 'nauthors', 'pageRange', 'publicationName', 'publisher', 'results', 'ris', 'scopus_link', 'self_link', 'source_id', 'srctype', 'startingPage', 'title', 'url', 'volume', 'xml']

Some of these are objects themselves. Here we consider the authors, which is a list of scopus.scopus_api.ScopusAuthor objects. These objects have quite a bit of information on them.

from scopus.scopus_api import ScopusAbstract

ab = ScopusAbstract("2-s2.0-84930662492")
for au in ab.authors:
    print(au)

print([x for x in dir(au) if '__' not in x])

1. John D. Michael scopusid:56673592900 affiliation_id:60027950
2. Ethan L. Demeter scopusid:55328415000 affiliation_id:60027950
3. Steven M. Illes scopusid:56674328100 affiliation_id:60027950
4. Qingqi Fan scopusid:56673468200 affiliation_id:60027950
5. Jacob R. Boes scopusid:56522803500 affiliation_id:60027950
6. John R. Kitchin scopusid:7004212771 affiliation_id:60027950
['affiliations', 'auid', 'author', 'author_url', 'given_name', 'indexed_name', 'initials', 'scopusid', 'seq', 'surname']

Another item of potential interest is the journal. Here we can access information about the journal impact factors of an article.

from scopus.scopus_api import ScopusAbstract, ScopusJournal

ab = ScopusAbstract("2-s2.0-84930616647")

print(ScopusJournal(ab.issn))

ACS Catalysis http://www.scopus.com/source/sourceInfo.url?sourceId=19700188320
    Homepage:
    SJR:  3.277 (2014)
    SNIP: 1.997 (2014)
    IPP:  8.458 (2014)

:

scopus_search

This is a class to enable you to perform a query and then retrieve the records of the query for analysis. The EIDs for the search are cached so subsequent analysis is quicker. This class mostly just provides a list of EIDs which you can use for the ScopusAbstract class.

from scopus.scopus_search import ScopusSearch

s = ScopusSearch('FIRSTAUTH ( kitchin  j.r. )', refresh=True)
print(s.org_summary)

1. 2-s2.0-0141924604 J.R. Kitchin, N.A. Khan, M.A. Barteau, J.G. Chen, B. Yakshinskiy and T.E. Madey, Elucidation of the active surface and origin of the weak metal-hydrogen bond on Ni/Pt(1 1 1) bimetallic surfaces: A surface science and density functional theory study, Surface Science, 544(2-3), p. 295-308, (2003). http://dx.doi.org/10.1016/j.susc.2003.09.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0141924604&origin=inward, cited 112 times (Scopus). Affiliations: id:60023004 University of Delaware id:60030623 Rutgers, The State University of New Jersey
2. 2-s2.0-2942640180 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals, Journal of Chemical Physics, 120(21), p. 10240-10246, (2004). http://dx.doi.org/10.1063/1.1737365, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=2942640180&origin=inward, cited 539 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
3. 2-s2.0-84971324241 J.R. Kitchin and A.J. Gellman, High-throughput methods using composition and structure spread libraries, AIChE Journal, None, (no pages found) (2016). http://dx.doi.org/10.1002/aic.15294, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84971324241&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
4. 2-s2.0-20544467859 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Trends in the chemical properties of early transition metal carbide surfaces: A density functional study, Catalysis Today, 105(1 SPEC. ISS.), p. 66-73, (2005). http://dx.doi.org/10.1016/j.cattod.2005.04.008, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=20544467859&origin=inward, cited 85 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
5. 2-s2.0-13444307808 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Role of strain and ligand effects in the modification of the electronic and chemical Properties of bimetallic surfaces, Physical Review Letters, 93(15), (no pages found) (2004). http://dx.doi.org/10.1103/PhysRevLett.93.156801, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=13444307808&origin=inward, cited 451 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
6. 2-s2.0-84930616647 John R. Kitchin, Examples of effective data sharing in scientific publishing, ACS Catalysis, 5(6), p. 3894-3899, (2015). http://dx.doi.org/10.1021/acscatal.5b00538, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930616647&origin=inward, cited 2 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
7. 2-s2.0-40949100780 J.R. Kitchin, K. Reuter and M. Scheffler, Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag3 Pd(111) in oxygen atmospheres, Physical Review B - Condensed Matter and Materials Physics, 77(7), Art. No. 075437 (2008). http://dx.doi.org/10.1103/PhysRevB.77.075437, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=40949100780&origin=inward, cited 56 times (Scopus). Affiliations: id:60008644 Fritz Haber Institute of the Max Planck Society id:60027950 Carnegie Mellon University
8. 2-s2.0-67449106405 John R. Kitchin, Correlations in coverage-dependent atomic adsorption energies on Pd(111), Physical Review B - Condensed Matter and Materials Physics, 79(20), Art. No. 205412 (2009). http://dx.doi.org/10.1103/PhysRevB.79.205412, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=67449106405&origin=inward, cited 30 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
9. 2-s2.0-84930349644 John R. Kitchin, Data sharing in Surface Science, Surface Science, 647, p. 103-107, (2016). http://dx.doi.org/10.1016/j.susc.2015.05.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930349644&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
10. 2-s2.0-0037368024 J.R. Kitchin, M.A. Barteau and J.G. Chen, A comparison of gold and molybdenum nanoparticles on TiO2(1 1 0) 1 × 2 reconstructed single crystal surfaces, Surface Science, 526(3), p. 323-331, (2003). http://dx.doi.org/10.1016/S0039-6028(02)02679-1, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0037368024&origin=inward, cited 29 times (Scopus). Affiliations: id:60023004 University of Delaware

scopus_report

This module provides a function to generate a report on a scopus search. It outputs text in org-format. It summarizes the results in a variety of ways, such as the number of hits, which journals they are published in, who the coauthors are, how many times the articles have been published, etc…

from scopus.scopus_search import ScopusSearch
from scopus.scopus_reports import report

s = ScopusSearch('FIRSTAUTH ( kitchin  j.r. )')
report(s, 'Kitchin - first author')

Document type	count
Journal	10
Conference Proceeding	1

10 articles (1304 citations) found by 10 authors

name	count	categories
Kitchin J.R.	10	Chemical Engineering (all) (30), Physical and Theoretical Chemistry (26), Chemistry (all) (23)
Barteau M.A.	5	Physical and Theoretical Chemistry (166), Catalysis (109), Condensed Matter Physics (79)
Chen J.G.	5	Physical and Theoretical Chemistry (164), Catalysis (139), Condensed Matter Physics (78)
Norskov J.K.	3	Physical and Theoretical Chemistry (213), Catalysis (173), Condensed Matter Physics (154)
Scheffler M.	1	Condensed Matter Physics (256), Physics and Astronomy (all) (202), Physical and Theoretical Chemistry (94)
Gellman A.J.	1	Physical and Theoretical Chemistry (118), Surfaces and Interfaces (80), Condensed Matter Physics (78)
Madey T.E.	1	Condensed Matter Physics (248), Surfaces and Interfaces (214), Physical and Theoretical Chemistry (186)
Khan N.A.	1	Physical and Theoretical Chemistry (14), Catalysis (9), Surfaces and Interfaces (6)
Reuter K.	1	Condensed Matter Physics (58), Physics and Astronomy (all) (55), Physical and Theoretical Chemistry (41)
Yakshinskiy B.	1	Condensed Matter Physics (26), Electrical and Electronic Engineering (15), Physical and Theoretical Chemistry (14)

Journal	count	IPP
Surface Science	3	1.773
Physical Review B - Condensed Matter and Materials	2	3.153
AIChE Journal	1	2.6
Physical Review Letters	1	6.471
Journal of Chemical Physics	1	2.536
ACS Catalysis	1	8.458
Catalysis Today	1	3.764

Journal	count	IPP
ACS Catalysis	1	8.458
Physical Review Letters	1	6.471
Catalysis Today	1	3.764
Physical Review B - Condensed Matter and Materials	2	3.153
AIChE Journal	1	2.6
Journal of Chemical Physics	1	2.536
Surface Science	3	1.773

title	cite count
Modification of the surface electronic and chemical properti	539
Role of strain and ligand effects in the modification of the	451
Elucidation of the active surface and origin of the weak met	112
Trends in the chemical properties of early transition metal	85
Alloy surface segregation in reactive environments: First-pr	56
Correlations in coverage-dependent atomic adsorption energie	30
A comparison of gold and molybdenum nanoparticles on TiO2(1	29
Examples of effective data sharing in scientific publishing	2
Data sharing in Surface Science	0
High-throughput methods using composition and structure spre	0

Bibliography

1. 2-s2.0-0141924604 J.R. Kitchin, N.A. Khan, M.A. Barteau, J.G. Chen, B. Yakshinskiy and T.E. Madey, Elucidation of the active surface and origin of the weak metal-hydrogen bond on Ni/Pt(1 1 1) bimetallic surfaces: A surface science and density functional theory study, Surface Science, 544(2-3), p. 295-308, (2003). http://dx.doi.org/10.1016/j.susc.2003.09.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0141924604&origin=inward, cited 112 times (Scopus). Affiliations: id:60023004 University of Delaware id:60030623 Rutgers, The State University of New Jersey
2. 2-s2.0-2942640180 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals, Journal of Chemical Physics, 120(21), p. 10240-10246, (2004). http://dx.doi.org/10.1063/1.1737365, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=2942640180&origin=inward, cited 539 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
3. 2-s2.0-84971324241 J.R. Kitchin and A.J. Gellman, High-throughput methods using composition and structure spread libraries, AIChE Journal, None, (no pages found) (2016). http://dx.doi.org/10.1002/aic.15294, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84971324241&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
4. 2-s2.0-20544467859 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Trends in the chemical properties of early transition metal carbide surfaces: A density functional study, Catalysis Today, 105(1 SPEC. ISS.), p. 66-73, (2005). http://dx.doi.org/10.1016/j.cattod.2005.04.008, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=20544467859&origin=inward, cited 85 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
5. 2-s2.0-13444307808 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Role of strain and ligand effects in the modification of the electronic and chemical Properties of bimetallic surfaces, Physical Review Letters, 93(15), (no pages found) (2004). http://dx.doi.org/10.1103/PhysRevLett.93.156801, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=13444307808&origin=inward, cited 451 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
6. 2-s2.0-84930616647 John R. Kitchin, Examples of effective data sharing in scientific publishing, ACS Catalysis, 5(6), p. 3894-3899, (2015). http://dx.doi.org/10.1021/acscatal.5b00538, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930616647&origin=inward, cited 2 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
7. 2-s2.0-40949100780 J.R. Kitchin, K. Reuter and M. Scheffler, Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag3 Pd(111) in oxygen atmospheres, Physical Review B - Condensed Matter and Materials Physics, 77(7), Art. No. 075437 (2008). http://dx.doi.org/10.1103/PhysRevB.77.075437, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=40949100780&origin=inward, cited 56 times (Scopus). Affiliations: id:60008644 Fritz Haber Institute of the Max Planck Society id:60027950 Carnegie Mellon University
8. 2-s2.0-67449106405 John R. Kitchin, Correlations in coverage-dependent atomic adsorption energies on Pd(111), Physical Review B - Condensed Matter and Materials Physics, 79(20), Art. No. 205412 (2009). http://dx.doi.org/10.1103/PhysRevB.79.205412, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=67449106405&origin=inward, cited 30 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
9. 2-s2.0-84930349644 John R. Kitchin, Data sharing in Surface Science, Surface Science, 647, p. 103-107, (2016). http://dx.doi.org/10.1016/j.susc.2015.05.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930349644&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
10. 2-s2.0-0037368024 J.R. Kitchin, M.A. Barteau and J.G. Chen, A comparison of gold and molybdenum nanoparticles on TiO2(1 1 0) 1 × 2 reconstructed single crystal surfaces, Surface Science, 526(3), p. 323-331, (2003). http://dx.doi.org/10.1016/S0039-6028(02)02679-1, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0037368024&origin=inward, cited 29 times (Scopus). Affiliations: id:60023004 University of Delaware

scopus_author

This class differs from the author class described in scopus_api. This class is to interact with the entire author record in Scopus, using the author’s scopus id. The ScopusAuthor object can access many bits of data about an author, including the number of papers, h-index, author impact factor, etc…

from scopus.scopus_author import ScopusAuthor

au = ScopusAuthor(7004212771)
print([x for x in dir(au) if '__' not in x])

['_affiliation_history', '_author_id', '_citedby_url', '_coauthor_url', '_current_affiliation', '_date_created', '_firstname', '_hindex', '_lastname', '_name', '_ncited_by', '_ncoauthors', '_ndocuments', '_orcid', '_scopus_url', 'affiliation_history', 'author_id', 'author_impact_factor', 'categories', 'citedby_url', 'coauthor_url', 'current_affiliation', 'date_created', 'firstname', 'get_abstracts', 'get_coauthors', 'get_document_eids', 'get_document_summary', 'hindex', 'lastname', 'level', 'n_first_author_papers', 'n_journal_articles', 'n_last_author_papers', 'name', 'ncitations', 'ncited_by', 'ncoauthors', 'ndocuments', 'orcid', 'results', 'scopus_url', 'xml']

from scopus.scopus_author import ScopusAuthor

au = ScopusAuthor(7004212771)
print([a.name for a in au.get_coauthors()])

['Stanislav V. Pandelov', 'John D. Michael', 'Yogesh V. Joshi', 'Gamze Gumuslu', 'Xu Zhou', 'John R. McCormick', 'Carmeline J. Dsilva', 'Steven M. Illes', 'Neetha A. Khan', 'Robin Chao', 'Erik J. Albenze', 'Nilay Inolu', 'Shelley L. Anna', 'Christina R. Myers', 'Anita S. Lee', 'Ethan L. Demeter', 'Walter Richard Alesi', 'Qingqi Fan', 'John D. Watkins', 'Sumathy Raman', 'Chunrong Yin', 'Áshildur Logadóttir', 'Prateek Mehta', 'Hari Thirumalai', 'Relja Vasić', 'Isabelacostinela Man', 'W. Richard Alesi', 'Peter L. Versteeg', 'Aaron Marks', 'Rumyana V. Petrova', 'Ashleigh E. Baber', 'Petro Kondratyuk', 'Lisa Mauck Weiland', 'Jingguang Chen', 'Ashish B. Mhadeshwar', 'Shayna L. Hilburg', 'Spencer D. Miller', 'Heather L. Tierney', 'Henry W. Pennline', 'Haiyan Su', 'Peter Kondratyuk', 'Kevin P. Resnik', 'Vladimir V. Pushkarev', 'Fei Gao', 'Charles Sykes', 'Edward S. Rubin', 'Nilay G. Inoǧlu', 'Boris V. Yakshinskiy', 'Ratiporn Munprom', 'Alexander P. Hallenbeck', 'Adefemi A. Egbebi', 'Matthew T. Curnan', 'Newell R. Washburn', 'José Ignacio Martínez', 'Zhongnan Xu', 'Edward M. Sabolsky', 'Krishnan V. Damodaran', 'James X. Mao', 'Morris Morris Bullock', 'Bryan D. Morreale', 'John A. Keith', 'Jacob R. Boes', 'Mitchell C. Groenenboom', 'Charles T. Campbell', 'Christopher J. Keturakis', 'Mc Mahan L Gray', 'Mark Barteau', 'Thomas Bligaard', 'Heine Anton Hansen', 'Inkyu Song', 'Christopher W. Jones', 'Kirk R. Gerdes', 'Hari Chandan Mantripragada', 'John R. Kitchin', 'Robert Lee Thompson', 'Hunaid B. Nulwala', 'Nicholas S. Siefert', 'Wei Shi', 'David P. Hopkinson', 'John C. Eslick', 'B. A. Calfa', 'Victor A. Kusuma', 'David R. Luebke', 'Federico Calle-Vallejo', 'David C M Miller', 'Jens Kehlet Nørskov', 'Sneha A. Akhade', 'Bruce C. Gates', 'Jan Rossmeisl', 'Evan Jacob Granite', 'James Landon', 'Dionisios G. Vlachos', 'James B. Miller', 'Ulrich Stimming', 'Israel E. Wachs', 'Anatoly I. Frenkel', 'Jingguang Chen', 'William D. Jones', 'Karsten Reuter', 'Susannah Scott', 'E. Charles H Sykes', 'Andrew J. Gellman', 'David S. Sholl', 'Jeongwoo Han', 'Paul A. Salvador', 'Marc T M Koper', 'R. J. Gorte', 'Thomas Francisco Jaramillo', 'Theodore E. Madey', 'Hannes Jónsson', 'Lars Lindqvist', 'Terrence J. Collins', 'Matthias Scheffler']

You can generate a report about an author just by printing it.

from scopus.scopus_author import ScopusAuthor

au = ScopusAuthor(7004212771)
print(au)

John R. Kitchin (updated on Thu Aug 11 12:07:15 2016)

http://orcid.org/0000-0003-2625-9232 83 documents cited 4256 times by 3353 people (112 coauthors) #first author papers 10 #last author papers 38 h-index: 19 AIF(2014) = 11.55 Scopus ID created on (2005, 12, 3)

Current affiliation according to Scopus: Carnegie Mellon University, Department of Chemical Engineering

Subject areas Chemical Engineering (all) (30), Physical and Theoretical Chemistry (26), Chemistry (all) (23), Catalysis (20), Condensed Matter Physics (16), Surfaces, Coatings and Films (12), Energy (all) (11), Physics and Astronomy (all) (10), Industrial and Manufacturing Engineering (9), Surfaces and Interfaces (9), Electronic, Optical and Magnetic Materials (8), Materials Science (all) (6), Materials Chemistry (6), Energy Engineering and Power Technology (6), Fuel Technology (6), Organic Chemistry (4), Electrochemistry (3), Pollution (3), Biotechnology (3), Management, Monitoring, Policy and Law (3), Safety, Risk, Reliability and Quality (3), Information Systems (3), Modeling and Simulation (3), Environmental Chemistry (2), Environmental Engineering (2), Engineering (all) (2), Control and Systems Engineering (2), Atomic and Molecular Physics, and Optics (2), Process Chemistry and Technology (2), Safety Research (2), Inorganic Chemistry (2), Analytical Chemistry (1), Spectroscopy (1), Medicine (all) (1), Genetics (1), Colloid and Surface Chemistry (1), Biochemistry (1), Bioengineering (1), Electrical and Electronic Engineering (1), Multidisciplinary (1), Ceramics and Composites (1), Renewable Energy, Sustainability and the Environment (1), Environmental Science (all) (1)

Publishes in: Proc SPIE Int Soc Opt Eng, Top. Catal., Catal Lett, Phys. Chem. Chem. Phys., Prog. Energy Combust. Sci., Energy Fuels, ChemSusChem, Proc. Natl. Acad. Sci. U. S. A., J Am Ceram Soc, Proc. Air Waste Manage. Assoc. Annu. Conf. Exhib. AWMA, ECS Transactions, AIChE J., Mol Simul, J Chem Phys, AIChE Annu. Meet. Conf. Proc., ACS Natl. Meet. Book Abstr., AIChE - AIChE Annu. Meet., Conf. Proc., Int J Quantum Chem, Ind. Eng. Chem. Res., Fuel, RSC Adv., J. Phys. Chem. B, J Phys Chem B, Int. J. Greenh. Gas Control, J. Am. Chem. Soc., J. Catal., Catal. Lett., J. Phys. Chem. C, ChemSusChem, Surf Sci, J. Mol. Struct., Catal Today, ACS Catal., ACS Appl. Mater. Interfaces, Chem. Sci., ChemCatChem, Phys Rev Lett, J Chem Phys, AIChE Ann. Meet., Catal. Commun., Catal., J Electrochem Soc, Phys. Rev. B Condens. Matter Mater. Phys., Conf. Proc. - AIChE Spring Natl. Meet. Global Congr. Process Saf.

Affiliation history: Carnegie Mellon University (12838 authors, 66402 documents) 5000 Forbes Avenue Pittsburgh, United States https://www.scopus.com/affil/profile.uri?afid=60027950&partnerID=HzOxMe3b&origin=inward National Energy Technology Laboratory, Morgantown (788 authors, 3731 documents) P.O. Box 880 Morgantown, United States https://www.scopus.com/affil/profile.uri?afid=60026531&partnerID=HzOxMe3b&origin=inward TECH Lab (421 authors, 892 documents) None Atlanta, United States https://www.scopus.com/affil/profile.uri?afid=60030926&partnerID=HzOxMe3b&origin=inward National Energy Technology Laboratory, Pittsburgh (18 authors, 185 documents) 626 Cochrans Mill Road Pittsburgh, United States https://www.scopus.com/affil/profile.uri?afid=60090776&partnerID=HzOxMe3b&origin=inward United States Department of Energy (2117 authors, 5576 documents) 1000 Independence Ave., SW Washington, United States https://www.scopus.com/affil/profile.uri?afid=60027757&partnerID=HzOxMe3b&origin=inward Fritz Haber Institute of the Max Planck Society (1389 authors, 8691 documents) Faradayweg 4 - 6 Berlin, Germany https://www.scopus.com/affil/profile.uri?afid=60008644&partnerID=HzOxMe3b&origin=inward 78 of 78 documents

1. 2-s2.0-9744261716 J.K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J.R. Kitchin, T. Bligaard and H. Jónsson, Origin of the overpotential for oxygen reduction at a fuel-cell cathode, Journal of Physical Chemistry B, 108(46), p. 17886-17892, (2004). http://dx.doi.org/10.1021/jp047349j, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=9744261716&origin=inward, cited 1464 times (Scopus). Affiliations: id:60071113 University of Iceland id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware id:60071114 University Science Institute Reykjavik
2. 2-s2.0-2942640180 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals, Journal of Chemical Physics, 120(21), p. 10240-10246, (2004). http://dx.doi.org/10.1063/1.1737365, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=2942640180&origin=inward, cited 539 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
3. 2-s2.0-13444307808 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Role of strain and ligand effects in the modification of the electronic and chemical Properties of bimetallic surfaces, Physical Review Letters, 93(15), (no pages found) (2004). http://dx.doi.org/10.1103/PhysRevLett.93.156801, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=13444307808&origin=inward, cited 451 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware
4. 2-s2.0-15744396507 J.K. Nørskov, T. Bligaard, A. Logadottir, J.R. Kitchin, J.G. Chen, S. Pandelov and U. Stimming, Trends in the exchange current for hydrogen evolution, Journal of the Electrochemical Society, 152(3), (no pages found) (2005). http://dx.doi.org/10.1149/1.1856988, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=15744396507&origin=inward, cited 434 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware id:60019722 Technische Universitat Munchen
5. 2-s2.0-80051809046 I.C. Man, H.-Y. Su, F. Calle-Vallejo, H.A. Hansen, J.I. Martínez, N.G. Inoglu, J. Kitchin, T.F. Jaramillo, J.K. Nørskov and J. Rossmeisl, Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces, ChemCatChem, 3(7), p. 1159-1165, (2011). http://dx.doi.org/10.1002/cctc.201000397, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=80051809046&origin=inward, cited 373 times (Scopus). Affiliations: id:60007363 Northwestern University id:60011373 Danmarks Tekniske Universitet id:60026796 Universidad Autonoma de Madrid id:60025590 Stanford Linear Accelerator Center id:60027950 Carnegie Mellon University id:60012708 Stanford University
6. 2-s2.0-84864914806 E.S. Rubin, H. Mantripragada, A. Marks, P. Versteeg and J. Kitchin, The outlook for improved carbon capture technology, Progress in Energy and Combustion Science, 38(5), p. 630-671, (2012). http://dx.doi.org/10.1016/j.pecs.2012.03.003, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84864914806&origin=inward, cited 150 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
7. 2-s2.0-0141924604 J.R. Kitchin, N.A. Khan, M.A. Barteau, J.G. Chen, B. Yakshinskiy and T.E. Madey, Elucidation of the active surface and origin of the weak metal-hydrogen bond on Ni/Pt(1 1 1) bimetallic surfaces: A surface science and density functional theory study, Surface Science, 544(2-3), p. 295-308, (2003). http://dx.doi.org/10.1016/j.susc.2003.09.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0141924604&origin=inward, cited 112 times (Scopus). Affiliations: id:60023004 University of Delaware id:60030623 Rutgers, The State University of New Jersey
8. 2-s2.0-84864592302 J. Landon, E. Demeter, N. Inoǧlu, C. Keturakis, I.E. Wachs, R. Vasić, A.I. Frenkel and J.R. Kitchin, Spectroscopic characterization of mixed Fe-Ni oxide electrocatalysts for the oxygen evolution reaction in alkaline electrolytes, ACS Catalysis, 2(8), p. 1793-1801, (2012). http://dx.doi.org/10.1021/cs3002644, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84864592302&origin=inward, cited 93 times (Scopus). Affiliations: id:112985815 Yeshiva University id:60027757 United States Department of Energy id:60027950 Carnegie Mellon University id:60000060 Lehigh University
9. 2-s2.0-20544467859 J.R. Kitchin, J.K. Nørskov, M.A. Barteau and J.G. Chen, Trends in the chemical properties of early transition metal carbide surfaces: A density functional study, Catalysis Today, 105(1 SPEC. ISS.), p. 66-73, (2005). http://dx.doi.org/10.1016/j.cattod.2005.04.008, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=20544467859&origin=inward, cited 85 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware

1. 2-s2.0-40949100780 J.R. Kitchin, K. Reuter and M. Scheffler, Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study of Ag3 Pd(111) in oxygen atmospheres, Physical Review B - Condensed Matter and Materials Physics, 77(7), Art. No. 075437 (2008). http://dx.doi.org/10.1103/PhysRevB.77.075437, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=40949100780&origin=inward, cited 56 times (Scopus). Affiliations: id:60008644 Fritz Haber Institute of the Max Planck Society id:60027950 Carnegie Mellon University
2. 2-s2.0-72049114200 H.L. Tierney, A.E. Baber, J.R. Kitchin and E.C.H. Sykes, Hydrogen dissociation and spillover on individual isolated palladium atoms, Physical Review Letters, 103(24), Art. No. 246102 (2009). http://dx.doi.org/10.1103/PhysRevLett.103.246102, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=72049114200&origin=inward, cited 53 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University id:60023143 Tufts University
3. 2-s2.0-60849113132 S.D. Miller and J.R. Kitchin, Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(1 1 1) surfaces through adsorbate-induced surface electronic structure effects, Surface Science, 603(5), p. 794-801, (2009). http://dx.doi.org/10.1016/j.susc.2009.01.021, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=60849113132&origin=inward, cited 46 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
4. 2-s2.0-3042820285 A.B. Mhadeshwar, J.R. Kitchin, M.A. Barteau and D.G. Vlachos, The role of adsorbate-adsorbate interactions in the rate controlling step and the most abundant reaction intermediate of NH 3 decomposition on RU, Catalysis Letters, 96(1-2), p. 13-22, (2004). http://dx.doi.org/10.1023/B:CATL.0000029523.22277.e1, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=3042820285&origin=inward, cited 46 times (Scopus). Affiliations: id:60023004 University of Delaware
5. 2-s2.0-84876703352 F. Calle-Vallejo, N.G. Inoglu, H.-Y. Su, J.I. Martínez, I.C. Man, M.T.M. Koper, J.R. Kitchin and J. Rossmeisl, Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides, Chemical Science, 4(3), p. 1245-1249, (2013). http://dx.doi.org/10.1039/c2sc21601a, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84876703352&origin=inward, cited 37 times (Scopus). Affiliations: id:60070180 Leiden Institute of Chemistry id:60011373 Danmarks Tekniske Universitet id:60026796 Universidad Autonoma de Madrid id:60027950 Carnegie Mellon University
6. 2-s2.0-67449106405 John R. Kitchin, Correlations in coverage-dependent atomic adsorption energies on Pd(111), Physical Review B - Condensed Matter and Materials Physics, 79(20), Art. No. 205412 (2009). http://dx.doi.org/10.1103/PhysRevB.79.205412, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=67449106405&origin=inward, cited 30 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
7. 2-s2.0-0037368024 J.R. Kitchin, M.A. Barteau and J.G. Chen, A comparison of gold and molybdenum nanoparticles on TiO2(1 1 0) 1 × 2 reconstructed single crystal surfaces, Surface Science, 526(3), p. 323-331, (2003). http://dx.doi.org/10.1016/S0039-6028(02)02679-1, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0037368024&origin=inward, cited 29 times (Scopus). Affiliations: id:60023004 University of Delaware
8. 2-s2.0-77949916234 H.W. Pennline, E.J. Granite, D.R. Luebke, J.R. Kitchin, J. Landon and L.M. Weiland, Separation of CO2 from flue gas using electrochemical cells, Fuel, 89(6), p. 1307-1314, (2010). http://dx.doi.org/10.1016/j.fuel.2009.11.036, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77949916234&origin=inward, cited 26 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University id:60015543 University of Pittsburgh
9. 2-s2.0-58649114498 N. Inoǧlu and J.R. Kitchin, Atomistic thermodynamics study of the adsorption and the effects of water-gas shift reactants on Cu catalysts under reaction conditions, Journal of Catalysis, 261(2), p. 188-194, (2009). http://dx.doi.org/10.1016/j.jcat.2008.11.020, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=58649114498&origin=inward, cited 25 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
10. 2-s2.0-84861127526 W.R. Alesi and J.R. Kitchin, Evaluation of a primary amine-functionalized ion-exchange resin for CO 2 capture, Industrial and Engineering Chemistry Research, 51(19), p. 6907-6915, (2012). http://dx.doi.org/10.1021/ie300452c, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84861127526&origin=inward, cited 21 times (Scopus). Affiliations: id:60027757 United States Department of Energy id:60027950 Carnegie Mellon University
11. 2-s2.0-77956568341 W.R. Alesi Jr., M. Gray and J.R. Kitchin, CO2 adsorption on supported molecular amidine systems on activated carbon, ChemSusChem, 3(8), p. 948-956, (2010). http://dx.doi.org/10.1002/cssc.201000056, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77956568341&origin=inward, cited 19 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
12. 2-s2.0-84881394200 A.P. Hallenbeck and J.R. Kitchin, Effects of O2 and SO2 on the capture capacity of a primary-amine based polymeric CO2 sorbent, Industrial and Engineering Chemistry Research, 52(31), p. 10788-10794, (2013). http://dx.doi.org/10.1021/ie400582a, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84881394200&origin=inward, cited 18 times (Scopus). Affiliations: id:60090776 National Energy Technology Laboratory, Pittsburgh id:60027950 Carnegie Mellon University
13. 2-s2.0-79952860396 S.D. Miller, N. Inoǧlu and J.R. Kitchin, Configurational correlations in the coverage dependent adsorption energies of oxygen atoms on late transition metal fcc(111) surfaces, Journal of Chemical Physics, 134(10), Art. No. 104709 (2011). http://dx.doi.org/10.1063/1.3561287, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=79952860396&origin=inward, cited 18 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
14. 2-s2.0-77955464573 N. Inoǧlu and J.R. Kitchin, New solid-state table: Estimating d-band characteristics for transition metal atoms, Molecular Simulation, 36(7-8), p. 633-638, (2010). http://dx.doi.org/10.1080/08927022.2010.481794, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77955464573&origin=inward, cited 18 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
15. 2-s2.0-84865730756 S.A. Akhade and J.R. Kitchin, Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces, Journal of Chemical Physics, 137(8), Art. No. 084703 (2012). http://dx.doi.org/10.1063/1.4746117, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84865730756&origin=inward, cited 17 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
16. 2-s2.0-77956693843 N. Inoǧlu and J.R. Kitchin, Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces, Physical Review B - Condensed Matter and Materials Physics, 82(4), Art. No. 045414 (2010). http://dx.doi.org/10.1103/PhysRevB.82.045414, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77956693843&origin=inward, cited 17 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
17. 2-s2.0-63649114440 J.W. Han, J.R. Kitchin and D.S. Sholl, Step decoration of chiral metal surfaces, Journal of Chemical Physics, 130(12), Art. No. 124710 (2009). http://dx.doi.org/10.1063/1.3096964, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=63649114440&origin=inward, cited 15 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University id:60019647 Georgia Institute of Technology
18. 2-s2.0-73149124752 S.D. Miller and J.R. Kitchin, Uncertainty and figure selection for DFT based cluster expansions for oxygen adsorption on Au and Pt (111) surfaces, Molecular Simulation, 35(10-11), p. 920-927, (2009). http://dx.doi.org/10.1080/08927020902833137, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=73149124752&origin=inward, cited 14 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
19. 2-s2.0-0037197884 I.K. Song, J.R. Kitchin and M.A. Barteau, H3PW12O40-functionalized tip for scanning tunneling microscopy, Proceedings of the National Academy of Sciences of the United States of America, 99(SUPPL. 2), p. 6471-6475, (2002). http://dx.doi.org/10.1073/pnas.072514399, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0037197884&origin=inward, cited 13 times (Scopus). Affiliations: id:60017442 Kangnung National University id:60023004 University of Delaware
20. 2-s2.0-79953651013 N. Inoǧlu and J.R. Kitchin, Identification of sulfur-tolerant bimetallic surfaces using dft parametrized models and atomistic thermodynamics, ACS Catalysis, 1(4), p. 399-407, (2011). http://dx.doi.org/10.1021/cs200039t, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=79953651013&origin=inward, cited 12 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
21. 2-s2.0-0142023762 J.R. McCormick, J.R. Kitchin, M.A. Barteau and J.G. Chen, A four-point probe correlation of oxygen sensitivity to changes in surface resistivity of TiO2(0 0 1) and Pd-modified TiO2(0 0 1), Surface Science, 545(1-2), (no pages found) (2003). http://dx.doi.org/10.1016/j.susc.2003.08.041, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=0142023762&origin=inward, cited 12 times (Scopus). Affiliations: id:60023004 University of Delaware
22. 2-s2.0-84873706643 J.X. Mao, A.S. Lee, J.R. Kitchin, H.B. Nulwala, D.R. Luebke and K. Damodaran, Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study, Journal of Molecular Structure, 1038, p. 12-18, (2013). http://dx.doi.org/10.1016/j.molstruc.2013.01.046, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84873706643&origin=inward, cited 11 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University id:60015543 University of Pittsburgh
23. 2-s2.0-84867809683 A.S. Lee and J.R. Kitchin, Chemical and molecular descriptors for the reactivity of amines with CO 2 , Industrial and Engineering Chemistry Research, 51(42), p. 13609-13618, (2012). http://dx.doi.org/10.1021/ie301419q, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84867809683&origin=inward, cited 11 times (Scopus). Affiliations: id:60027757 United States Department of Energy id:60027950 Carnegie Mellon University
24. 2-s2.0-84898934670 E.L. Demeter, S.L. Hilburg, N.R. Washburn, T.J. Collins and J.R. Kitchin, Electrocatalytic oxygen evolution with an immobilized TAML activator, Journal of the American Chemical Society, 136(15), p. 5603-5606, (2014). http://dx.doi.org/10.1021/ja5015986, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84898934670&origin=inward, cited 10 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
25. 2-s2.0-84880986072 A.S. Lee, J.C. Eslick, D.C. Miller and J.R. Kitchin, Comparisons of amine solvents for post-combustion CO2 capture: A multi-objective analysis approach, International Journal of Greenhouse Gas Control, 18, p. 68-74, (2013). http://dx.doi.org/10.1016/j.ijggc.2013.06.020, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84880986072&origin=inward, cited 10 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
26. 2-s2.0-33750804660 J.K. Nørskov, T. Bligaard, A. Logadottir, J.R. Kitchin, J.G. Chen, S. Pandelov and U. Stimming, Response to “comment on ‘trends in the exchange current for hydrogen evolution’ [J. Electrochem. Soc., 152, J23 (2005)]”, Journal of the Electrochemical Society, 153(12), Art. No. 054612JES (2006). http://dx.doi.org/10.1149/1.2358292, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=33750804660&origin=inward, cited 10 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60023004 University of Delaware id:60019722 Technische Universitat Munchen
27. 2-s2.0-84924130725 Z. Xu, J. Rossmeisl and J.R. Kitchin, A linear response DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides, Journal of Physical Chemistry C, 119(9), p. 4827-4833, (2015). http://dx.doi.org/10.1021/jp511426q, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84924130725&origin=inward, cited 9 times (Scopus). Affiliations: id:60011373 Danmarks Tekniske Universitet id:60027950 Carnegie Mellon University
28. 2-s2.0-84949115648 M.T. Curnan and J.R. Kitchin, Effects of concentration, crystal structure, magnetism, and electronic structure method on first-principles oxygen vacancy formation energy trends in perovskites, Journal of Physical Chemistry C, 118(49), p. 28776-28790, (2014). http://dx.doi.org/None, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84949115648&origin=inward, cited 9 times (Scopus). Affiliations: id:60090776 National Energy Technology Laboratory, Pittsburgh id:60027950 Carnegie Mellon University
29. 2-s2.0-84908637059 Z. Xu and J.R. Kitchin, Probing the coverage dependence of site and adsorbate configurational correlations on (111) surfaces of late transition metals, Journal of Physical Chemistry C, 118(44), p. 25597-25602, (2014). http://dx.doi.org/10.1021/jp508805h, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84908637059&origin=inward, cited 8 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
30. 2-s2.0-84896759135 R.L. Thompson, W. Shi, E. Albenze, V.A. Kusuma, D. Hopkinson, K. Damodaran, A.S. Lee, J.R. Kitchin, D.R. Luebke and H. Nulwala, Probing the effect of electron donation on CO2 absorbing 1,2,3-triazolide ionic liquids, RSC Advances, 4(25), p. 12748-12755, (2014). http://dx.doi.org/10.1039/c3ra47097k, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84896759135&origin=inward, cited 7 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60007207 URS Corporation id:60027950 Carnegie Mellon University id:60015543 University of Pittsburgh
31. 2-s2.0-77954747189 J. Landon and J.R. Kitchin, Electrochemical concentration of carbon dioxide from an oxygen/carbon dioxide containing gas stream, Journal of the Electrochemical Society, 157(8), (no pages found) (2010). http://dx.doi.org/10.1149/1.3432440, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77954747189&origin=inward, cited 7 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
32. 2-s2.0-84930662492 J.D. Michael, E.L. Demeter, S.M. Illes, Q. Fan, J.R. Boes and J.R. Kitchin, Alkaline electrolyte and fe impurity effects on the performance and active-phase structure of niooh thin films for OER catalysis applications, Journal of Physical Chemistry C, 119(21), p. 11475-11481, (2015). http://dx.doi.org/10.1021/acs.jpcc.5b02458, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930662492&origin=inward, cited 6 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
33. 2-s2.0-84896380535 P. Mehta, P.A. Salvador and J.R. Kitchin, Identifying potential BO2 oxide polymorphs for epitaxial growth candidates, ACS Applied Materials and Interfaces, 6(5), p. 3630-3639, (2014). http://dx.doi.org/10.1021/am4059149, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84896380535&origin=inward, cited 6 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
34. 2-s2.0-84896585411 S.D. Miller, V.V. Pushkarev, A.J. Gellman and J.R. Kitchin, Simulating temperature programmed desorption of oxygen on Pt(111) using DFT derived coverage dependent desorption barriers, Topics in Catalysis, 57(1-4), p. 106-117, (2014). http://dx.doi.org/10.1007/s11244-013-0166-3, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84896585411&origin=inward, cited 6 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
35. 2-s2.0-84863684845 R. Chao, R. Munprom, R. Petrova, K. Gerdes, J.R. Kitchin and P.A. Salvador, Structure and relative thermal stability of mesoporous (La, Sr) MnO 3powders prepared using evaporation-induced self-assembly methods, Journal of the American Ceramic Society, 95(7), p. 2339-2346, (2012). http://dx.doi.org/10.1111/j.1551-2916.2012.05236.x, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84863684845&origin=inward, cited 6 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University id:110078277 International Iberian Nanotechnology Laboratory id:60026531 National Energy Technology Laboratory, Morgantown
36. 2-s2.0-80052944171 S.A. Akhade and J.R. Kitchin, Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites, Journal of Chemical Physics, 135(10), Art. No. 104702 (2011). http://dx.doi.org/10.1063/1.3631948, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=80052944171&origin=inward, cited 6 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
37. 2-s2.0-73149109096 N. Inolu and J.R. Kitchin, Sulphur poisoning of water-gas shift catalysts: Site blocking and electronic structure modification, Molecular Simulation, 35(10-11), p. 936-941, (2009). http://dx.doi.org/10.1080/08927020902833129, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=73149109096&origin=inward, cited 6 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
38. 2-s2.0-84923164062 J.R. Boes, G. Gumuslu, J.B. Miller, A.J. Gellman and J.R. Kitchin, Estimating bulk-composition-dependent H2 adsorption energies on CuxPd1- x alloy (111) surfaces, ACS Catalysis, 5(2), p. 1020-1026, (2015). http://dx.doi.org/10.1021/cs501585k, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84923164062&origin=inward, cited 5 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
39. 2-s2.0-84927589996 Z. Xu, Y.V. Joshi, S. Raman and J.R. Kitchin, Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U (V) method, Journal of Chemical Physics, 142(14), Art. No. 144701 (2015). http://dx.doi.org/10.1063/1.4916823, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84927589996&origin=inward, cited 5 times (Scopus). Affiliations: id:106545449 Exxon Mobil Research and Engineering id:60027950 Carnegie Mellon University
40. 2-s2.0-84901638552 Z. Xu and J.R. Kitchin, Relating the electronic structure and reactivity of the 3d transition metal monoxide surfaces, Catalysis Communications, 52, p. 60-64, (2014). http://dx.doi.org/10.1016/j.catcom.2013.10.028, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84901638552&origin=inward, cited 5 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
41. 2-s2.0-84856818654 R. Chao, J.R. Kitchin, K. Gerdes, E.M. Sabolsky and P.A. Salvador, Preparation of Mesoporous La 0.8Sr 0.2MnO 3 infiltrated coatings in porous SOFC cathodes using evaporation-induced self-assembly methods, ECS Transactions, 35(3 PART 3), p. 2387-2399, (2011). http://dx.doi.org/10.1149/1.3570235, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84856818654&origin=inward, cited 4 times (Scopus). Affiliations: id:60021143 West Virginia University id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
42. 2-s2.0-84930616647 John R. Kitchin, Examples of effective data sharing in scientific publishing, ACS Catalysis, 5(6), p. 3894-3899, (2015). http://dx.doi.org/10.1021/acscatal.5b00538, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930616647&origin=inward, cited 2 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
43. 2-s2.0-84924911828 Z. Xu and J.R. Kitchin, Relationships between the surface electronic and chemical properties of doped 4d and 5d late transition metal dioxides, Journal of Chemical Physics, 142(10), Art. No. 104703 (2015). http://dx.doi.org/10.1063/1.4914093, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84924911828&origin=inward, cited 2 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
44. 2-s2.0-84886483703 S. Miller, C. Dsilva and J.R. Kitchin, Coverage dependent adsorption properties of atomic adsorbates on late transition metal surfaces, Catalysis, 24, p. 83-115, (2012). http://dx.doi.org/10.1039/9781849734776-00083, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84886483703&origin=inward, cited 1 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
45. 2-s2.0-84947220242 A.P. Hallenbeck, A. Egbebi, K.P. Resnik, D. Hopkinson, S.L. Anna and J.R. Kitchin, Comparative microfluidic screening of amino acid salt solutions for post-combustion CO2 capture, International Journal of Greenhouse Gas Control, 43, p. 189-197, (2015). http://dx.doi.org/10.1016/j.ijggc.2015.10.026, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84947220242&origin=inward, cited 0 times (Scopus). Affiliations: id:115418659 AECOM id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
46. 2-s2.0-84947716900 J.D. Watkins, N.S. Siefert, X. Zhou, C.R. Myers, J.R. Kitchin, D.P. Hopkinson and H.B. Nulwala, Redox-Mediated Separation of Carbon Dioxide from Flue Gas, Energy and Fuels, 29(11), p. 7508-7515, (2015). http://dx.doi.org/10.1021/acs.energyfuels.5b01807, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84947716900&origin=inward, cited 0 times (Scopus). Affiliations: id:115412332 Liquid Ion Solutions, LLC id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
47. 2-s2.0-84946065058 Z. Xu and J.R. Kitchin, Tuning oxide activity through modification of the crystal and electronic structure: from strain to potential polymorphs, Physical Chemistry Chemical Physics, 17(43), p. 28943-28949, (2015). http://dx.doi.org/10.1039/c5cp04840k, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84946065058&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
48. 2-s2.0-84941248260 M.T. Curnan and J.R. Kitchin, Investigating the Energetic Ordering of Stable and Metastable TiO<inf>2</inf> Polymorphs Using DFT+U and Hybrid Functionals, Journal of Physical Chemistry C, 119(36), p. 21060-21071, (2015). http://dx.doi.org/10.1021/acs.jpcc.5b05338, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84941248260&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
49. 2-s2.0-84928975689 G. Gumuslu, P. Kondratyuk, J.R. Boes, B. Morreale, J.B. Miller, J.R. Kitchin and A.J. Gellman, Correlation of electronic structure with catalytic activity: H<inf>2</inf>-D<inf>2</inf> exchange across Cu<inf>x</inf>Pd<inf>1- x</inf> composition space, ACS Catalysis, 5(5), p. 3137-3147, (2015). http://dx.doi.org/10.1021/cs501586t, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84928975689&origin=inward, cited 0 times (Scopus). Affiliations: id:60030926 TECH Lab id:60027950 Carnegie Mellon University
50. 2-s2.0-84930349644 John R. Kitchin, Data sharing in Surface Science, Surface Science, 647, p. 103-107, (2016). http://dx.doi.org/10.1016/j.susc.2015.05.007, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84930349644&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
51. 2-s2.0-84951310415 H. Thirumalai and J.R. Kitchin, The role of vdW interactions in coverage dependent adsorption energies of atomic adsorbates on Pt(111) and Pd(111), Surface Science, 650, p. 196-202, (2016). http://dx.doi.org/10.1016/j.susc.2015.10.001, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84951310415&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
52. 2-s2.0-84946493176 J.R. Boes, P. Kondratyuk, C. Yin, J.B. Miller, A.J. Gellman and J.R. Kitchin, Core level shifts in Cu-Pd alloys as a function of bulk composition and structure, Surface Science, 640, p. 127-132, (2015). http://dx.doi.org/10.1016/j.susc.2015.02.011, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84946493176&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
53. 2-s2.0-84866142469 John Kitchin, Preface: Trends in computational catalysis, Topics in Catalysis, 55(5-6), p. 227-228, (2012). http://dx.doi.org/10.1007/s11244-012-9808-0, https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84866142469&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
54. 2-s2.0-84857224144 W.R. Alesi and J.R. Kitchin, The effect of CO 2 partial pressure on capture with ion exchange resins, 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings, None, (no pages found) (2011). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84857224144&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
55. 2-s2.0-84857197729 A.S. Lee and J.R. Kitchin, An electronic structure based understanding of amine-carbon dioxide interactions for CO 2 capture, 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings, None, (no pages found) (2011). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84857197729&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
56. 2-s2.0-80051860134 W. Richard Alesi Jr. and J. Kitchin, Determining the conditions necessary for optimal CO 2 capture of solid sorbents, ACS National Meeting Book of Abstracts, None, (no pages found) (2011). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=80051860134&origin=inward, cited 0 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
57. 2-s2.0-79951537083 H. Tierney, A. Baber, J. Kitchin and C. Sykes, Catalyzing the catalyst: Hydrogen dissociation and spillover on individual isolated palladium atoms, ACS National Meeting Book of Abstracts, None, (no pages found) (2010). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79951537083&origin=inward, cited 0 times (Scopus). Affiliations: id:60023143 Tufts University id:60027950 Carnegie Mellon University
58. 2-s2.0-78649528829 H.L. Tierney, A.E. Baber, J.R. Kitchin and E.C.H. Sykes, Catalyzing the catalyst: Novel pathways to hydrogen dissociation and spillover on palladium alloys, ACS National Meeting Book of Abstracts, None, (no pages found) (2009). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=78649528829&origin=inward, cited 0 times (Scopus). Affiliations: id:60023143 Tufts University id:60027950 Carnegie Mellon University
59. 2-s2.0-78649504144 N.G. Inoglu and J.R. Kitchin, Adsorbate Cu interactions and catalyst morphologies under reactive water gas shift environment: A first principle study, ACS National Meeting Book of Abstracts, None, (no pages found) (2009). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=78649504144&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
60. 2-s2.0-77952266872 H.W. Pennline, E.J. Granite, D.R. Luebke, J.R. Kitchin, J. Landon and L. Weiland, Ancillary oxygen-fired combustion using electrochemical cells, Proceedings of the Air and Waste Management Association’s Annual Conference and Exhibition, AWMA, 4, p. 2886-2901, (2009). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=77952266872&origin=inward, cited 0 times (Scopus). Affiliations: id:60015543 University of Pittsburgh id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
61. 2-s2.0-79952292116 S.D. Miller and J.R. Kitchin, Evaluating uncertainty in Ab initio phase diagrams of oxygen on Pt and Au(111), AIChE Annual Meeting, Conference Proceedings, None, (no pages found) (2008). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79952292116&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
62. 2-s2.0-78049295221 W.R. Alesi and J.R. Kitchin, A first principles evaluation of the role of substituent effects on the interaction of carbon dioxide with tertiary amines, Conference Proceedings - 2009 AIChE Spring National Meeting and 5th Global Congress on Process Safety, None, (no pages found) (2008). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=78049295221&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
63. 2-s2.0-79952296916 N. Inoglu and J.R. Kitchin, First principles, atomistic thermodynamics for sulfur poisoning of Cu water gas shift catalysts, AIChE Annual Meeting, Conference Proceedings, None, (no pages found) (2008). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79952296916&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
64. 2-s2.0-78049231913 W.R. Alesi, J.R. Kitchin and M.L. Gray, The effect of hydration on the adsorption of carbon dioxide with tertiary amidines on activated carbon, Conference Proceedings - 2009 AIChE Spring National Meeting and 5th Global Congress on Process Safety, None, (no pages found) (2008). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=78049231913&origin=inward, cited 0 times (Scopus). Affiliations: id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
65. 2-s2.0-79952301915 J. Kitchin and J. Landon, PEM-based electrochemical separation of gases, AIChE Annual Meeting, Conference Proceedings, None, (no pages found) (2008). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79952301915&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
66. 2-s2.0-45149129361 F. Gao, L.M. Weiland and J. Kitchin, Rotational isomeric state theory applied to the stiffness prediction of an anion polymer electrolyte membrane, Proceedings of SPIE - The International Society for Optical Engineering, 6929, Art. No. 69290M (2008). http://dx.doi.org/10.1117/12.776303, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=45149129361&origin=inward, cited 0 times (Scopus). Affiliations: id:60015543 University of Pittsburgh id:60026531 National Energy Technology Laboratory, Morgantown id:60027950 Carnegie Mellon University
67. 2-s2.0-37349101648 John R. Kitchin, Pt nanoparticle anode electrocatalysts for direct alcohol fuel cells, ACS National Meeting Book of Abstracts, None, (no pages found) (2007). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=37349101648&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
68. 2-s2.0-58049109348 John Kitchin, Pt nanoparticle electrocatalyst synthesis for direct alcohol fuel cells, 2007 AIChE Annual Meeting, None, (no pages found) (2007). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=58049109348&origin=inward, cited 0 times (Scopus). Affiliations: id:60027950 Carnegie Mellon University
69. 2-s2.0-33645645065 J. Kitchin, K. Reuter and M. Scheffler, Alloy surface segregation in reactive environments via density functional theory and atomistic thermodynamics, AIChE Annual Meeting, Conference Proceedings, None, p. 10617, (2005). http://dx.doi.org/None, http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=33645645065&origin=inward, cited 0 times (Scopus). Affiliations: