| 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 | 923 | 1999 |
| 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 | 627 | 2001 |
| 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 | 579 | 1999 |
| 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 | 441 | 1998 |
| Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation A Soon, M Todorova, B Delley, C Stampfl Physical Review B—Condensed Matter and Materials Physics 75 (12), 125420, 2007 | 386 | 2007 |
| Oxygen adsorption on Ag (111): A density-functional theory investigation WX Li, C Stampfl, M Scheffler Physical Review B 65 (7), 075407, 2002 | 383 | 2002 |
| Theoretical investigation of native defects, impurities, and complexes in aluminum nitride C Stampfl, CG Van de Walle Physical Review B 65 (15), 155212, 2002 | 358 | 2002 |
| 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 | 339 | 2006 |
| Oxygen adsorption and stability of surface oxides on : A first-principles investigation A Soon, M Todorova, B Delley, C Stampfl Physical Review B—Condensed Matter and Materials Physics 73 (16), 165424, 2006 | 333 | 2006 |
| 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 | 306 | 2000 |
| 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 | 293 | 1998 |
| 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 | 285 | 1996 |
| 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 | 279 | 2009 |
| 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 | 278 | 2005 |
| First-principles investigation of quantum emission from hBN defects SA Tawfik, S Ali, M Fronzi, M Kianinia, TT Tran, C Stampfl, I Aharonovich, ... Nanoscale 9 (36), 13575-13582, 2017 | 271 | 2017 |
| 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 | 264 | 2002 |
| Why is a Noble Metal Catalytically Active? The Role of the O-Ag Interaction in the Function<? format?> of Silver as an Oxidation Catalyst WX Li, C Stampfl, M Scheffler Physical review letters 90 (25), 256102, 2003 | 259 | 2003 |
| 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 | 244 | 1999 |
| 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 | 235 | 2003 |
| 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 | 225* | 1992 |
