Catherine Stampfl
TitleCited byYear
Density-functional calculations for III-V nitrides using the local-density approximation and the generalized gradient approximation
C Stampfl, CG Van de Walle
Physical Review B 59 (8), 5521, 1999
7311999
Electronic structure and physical properties of early transition metal mononitrides: Density-functional theory LDA, GGA, and screened-exchange LDA FLAPW calculations
C Stampfl, W Mannstadt, R Asahi, AJ Freeman
Physical Review B 63 (15), 155106, 2001
4832001
Phonon-versus electron-mediated desorption and oxidation of CO on Ru (0001)
M Bonn, S Funk, C Hess, DN Denzler, C Stampfl, M Scheffler, M Wolf, ...
Science 285 (5430), 1042-1045, 1999
4491999
Energetics and electronic structure of stacking faults in AlN, GaN, and InN
C Stampfl, CG Van de Walle
Physical Review B 57 (24), R15052, 1998
3511998
Oxygen adsorption on Ag (111): A density-functional theory investigation
WX Li, C Stampfl, M Scheffler
Physical Review B 65 (7), 075407, 2002
2832002
Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials
C Stampfl, CG Van de Walle, D Vogel, P Krüger, J Pollmann
Physical Review B 61 (12), R7846, 2000
2802000
Converged properties of clean metal surfaces by all-electron first-principles calculations
JLF Da Silva, C Stampfl, M Scheffler
Surface science 600 (3), 703-715, 2006
2612006
Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation
A Soon, M Todorova, B Delley, C Stampfl
Physical Review B 75 (12), 125420, 2007
2572007
Structure and Stability of a High-Coverage Oxygen Phase on Ru(0001)
C Stampfl, S Schwegmann, H Over, M Scheffler, G Ertl
Physical review letters 77 (16), 3371, 1996
2541996
Theoretical investigation of native defects, impurities, and complexes in aluminum nitride
C Stampfl, CG Van de Walle
Physical Review B 65 (15), 155212, 2002
2482002
Oxygen adsorption and stability of surface oxides on : A first-principles investigation
A Soon, M Todorova, B Delley, C Stampfl
Physical Review B 73 (16), 165424, 2006
2322006
Role of embedded clustering in dilute magnetic semiconductors: Cr doped GaN
XY Cui, JE Medvedeva, B Delley, AJ Freeman, N Newman, C Stampfl
Physical review letters 95 (25), 256404, 2005
2262005
Theory of doping and defects in III–V nitrides
CG Van de Walle, C Stampfl, J Neugebauer
Journal of crystal growth 189, 505-510, 1998
2201998
Identification of stable and metastable adsorption sites of K adsorbed on Al (111)
C Stampfl, M Scheffler, H Over, J Burchhardt, M Nielsen, DL Adams, ...
Physical review letters 69 (10), 1532, 1992
219*1992
Catalysis and corrosion: the theoretical surface-science context
C Stampfl, MV Ganduglia-Pirovano, K Reuter, M Scheffler
Surface Science 500 (1-3), 368-394, 2002
2172002
First-principles theory of surface thermodynamics and kinetics
C Stampfl, HJ Kreuzer, SH Payne, H Pfnür, M Scheffler
Physical review letters 83 (15), 2993, 1999
2031999
Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst
WX Li, C Stampfl, M Scheffler
Physical review letters 90 (25), 256102, 2003
1972003
Water adsorption on the stoichiometric and reduced CeO 2 (111) surface: a first-principles investigation
M Fronzi, S Piccinin, B Delley, E Traversa, C Stampfl
Physical Chemistry Chemical Physics 11 (40), 9188-9199, 2009
1912009
Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics
WX Li, C Stampfl, M Scheffler
Physical Review B 68 (16), 165412, 2003
1782003
Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations
JLF Da Silva, C Stampfl, M Scheffler
Physical review letters 90 (6), 066104, 2003
1782003
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Articles 1–20