Publications
Showing entries 221 - 240 out of 277
2005
Gustafson J, Mikkelsen A, Borg M, Andersen JN, Lundgren E, Klein C et al. Structure of a thin oxide film on Rh(100). Physical Review B. 2005;71(11):115442. doi: 10.1103/PhysRevB.71.115442
Paier J, Hirschl R, Marsman M, Kresse G. The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set. Journal of Chemical Physics. 2005;122(23):1-13. doi: 10.1063/1.1926272
2004
Rohrbach A, Hafner J, Kresse G. Ab initio study of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations. Physical Review B. 2004;70(12):125426. doi: 10.1103/PhysRevB.70.125426
Schoiswohl J, Sock M, Eck S, Surnev SL, Ramsey MG, Netzer FP et al. Atomic-level growth study of vanadium oxide nanostructures on Rh(111). Physical Review B. 2004;69(15):155403. doi: 10.1103/PhysRevB.69.155403
Dubay O, Kresse G. Density functional calculations for C60 peapods. Physical Review B. 2004;70(16):165424. doi: 10.1103/PhysRevB.70.165424
Koehler L, Kresse G. Density functional study of CO on Rh(111). Physical Review B. 2004;70(16):165405. doi: 10.1103/PhysRevB.70.165405
Eichler A, Kresse G. First-principles calculations for the surface termination of pure and yttria-doped zirconia surfaces. Physical Review B. 2004;69(4):045402. doi: 10.1103/PhysRevB.69.045402
Krause M, Hulman M, Kuzmany H, Dubay O, Kresse G, Vietze K et al. Fullerene quantum gyroscope. Physical Review Letters. 2004;93(13):137403. doi: 10.1103/PhysRevLett.93.137403
Koehler L, Kresse G, Schmid MA, Lundgren E, Gustafson J, Mikkelsen A et al. High-coverage oxygen structures on Rh(111): Adsorbate repulsion and site preference is not enough. Physical Review Letters. 2004;93(26 I):1-4. doi: 10.1103/PhysRevLett.93.266103
Rohrbach A, Hafner J, Kresse G. Molecular adsorption on the surface of strongly correlated transition-metal oxides: A case study for CO/NiO(100). Physical Review B. 2004;69(7):075413. doi: 10.1103/PhysRevB.69.075413
Dubay O, Kresse G. Nanotubes in channels. Carbon. 2004;42(5-6):979-982. doi: 10.1016/j.carbon.2003.12.021
Schoiswohl J, Kresse G, Surnev SL, Sock M, Ramsey MG, Netzer FP. Planar vanadium oxide clusters: Two-dimensional evaporation and diffusion on Rh(111). Physical Review Letters. 2004;92(20):206103. doi: 10.1103/PhysRevLett.92.206103
Hulman M, Kuzmany H, Dubay O, Kresse G, Li L, Tang ZK et al. Raman spectroscopy of single wall carbon nanotubes grown in zeolite crystals. Carbon. 2004;42(5-6):1071-1075. doi: 10.1016/j.carbon.2003.12.039
Gustafson J, Mikkelsen A, Borg M, Lundgren E, Koehler L, Kresse G et al. Self-limited growth of a thin oxide layer on Rh(111). Physical Review Letters. 2004;92(12):126102. doi: 10.1103/PhysRevLett.92.126102
Schoiswohl J, Surnev SL, Sock M, Ramsey MG, Kresse G, Netzer FP. Thermodynamically controlled self-assembly of two-dimensional oxide nanostructures. Angewandte Chemie (International Edition). 2004;43(41):5546-5549. doi: 10.1002/anie.200460150
Kresse G, Surnev SL, Schoiswohl J, Netzer FP. V2O3(0 0 0 1) surface terminations: a density functional study. Surface Science. 2004;555(1-3):118-134. doi: 10.1016/j.susc.2004.02.009
Schoiswohl J, Sock M, Surnev SL, Ramsey MG, Netzer FP, Kresse G et al. V2O3(0 0 0 1) surface terminations: from oxygen- to vanadium-rich. Surface Science. 2004;555(1-3):101-117. doi: 10.1016/j.susc.2003.12.053
2003
Sambi M, Petukhov M, Domenichini B, Rizzi GA, Surnev SL, Kresse G et al. A photoelectron diffraction study of the surface-V2O3 (2 × 2) layer on Pd(1 1 1). Surface Science. 2003;529(1-2):234-238. doi: 10.1016/S0039-6028(03)00070-0
Dubay O, Kresse G. Accurate density functional calculations for the phonon dispersion relations of graphite layer and carbon nanotubes. Physical Review B. 2003;67(3):035401. doi: 10.1103/PhysRevB.67.035401
Kresse G, Dulub O, Diebold U. Competing stabilization mechanism for the polar ZnO(0001)-Zn surface. Physical Review B. 2003;68(24):245409. doi: 10.1103/PhysRevB.68.245409
Showing entries 221 - 240 out of 277