DOI: 10.1103/physrevlett.90.046103. First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions

First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions

10.1103/physrevlett.90.046103

Crossref journal-article

American Physical Society (APS)

Physical Review Letters (16)

Bibliography

Reuter, K., & Scheffler, M. (2003). First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions. Physical Review Letters, 90(4).

Authors 2

Karsten Reuter (first)
Matthias Scheffler (additional)

References 18 Referenced 402

10.1016/S0039-6028(01)01551-5
{'volume-title': 'Defects in Semiconductors', 'year': '1986', 'author': 'C.\u2009M. Weinert', 'key': 'PhysRevLett.90.046103Cc2R1'} / Defects in Semiconductors by C. M. Weinert (1986)
{'volume-title': 'Physics of Solid Surfaces—1987', 'year': '1988', 'author': 'M. Scheffler', 'key': 'PhysRevLett.90.046103Cc3R1'} / Physics of Solid Surfaces—1987 by M. Scheffler (1988)
10.1103/PhysRevB.35.9625
10.1103/PhysRevB.38.7649
10.1103/PhysRevB.65.035406
{'volume-title': 'JANAF Thermochemical Tables', 'year': '1971', 'key': 'PhysRevLett.90.046103Cc8R1'} / JANAF Thermochemical Tables (1971)
10.1103/PhysRevLett.77.3865
{'volume-title': 'WIEN97', 'year': '1999', 'author': 'P. Blaha', 'key': 'PhysRevLett.90.046103Cc10R1'} / WIEN97 by P. Blaha (1999)
10.1016/0021-9517(78)90085-4 / J. Catal. by N. W. Cant (1978)
10.1021/j100398a031 / J. Phys. Chem. by C. H. F. Peden (1986)
10.1021/jp9726899
10.1126/science.287.5457.1474
10.1023/A:1009063201555
10.1063/1.1353584
10.1063/1.1350817
10.1021/jp014109k
10.1002/1521-3757(20001103)112:21<4075::AID-ANGE4075>3.0.CO;2-4

Dates

Type	When
Created	22 years, 6 months ago (Jan. 30, 2003, 4:40 p.m.)
Deposited	7 months, 2 weeks ago (Jan. 2, 2025, 4:30 p.m.)
Indexed	2 hours, 9 minutes ago (Aug. 22, 2025, 12:45 a.m.)
Issued	22 years, 6 months ago (Jan. 30, 2003)
Published	22 years, 6 months ago (Jan. 30, 2003)
Published Online	22 years, 6 months ago (Jan. 30, 2003)

Funders 0

None

BibTeX

@article{Reuter_2003, title={First-Principles Atomistic Thermodynamics for Oxidation Catalysis: Surface Phase Diagrams and Catalytically Interesting Regions}, volume={90}, ISSN={1079-7114}, url={http://dx.doi.org/10.1103/physrevlett.90.046103}, DOI={10.1103/physrevlett.90.046103}, number={4}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Reuter, Karsten and Scheffler, Matthias}, year={2003}, month=jan }

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