507 related articles for article (PubMed ID: 17004818)
1. Ba adsorption on the stoichiometric and defective TiO(2) (110) surface from first-principles calculations.
San Miguel MA; Oviedo J; Sanz JF
J Phys Chem B; 2006 Oct; 110(39):19552-6. PubMed ID: 17004818
[TBL] [Abstract][Full Text] [Related]
2. Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO2 surface. II. Adsorption on a partially reduced surface.
Chrétien S; Metiu H
J Chem Phys; 2007 Dec; 127(24):244708. PubMed ID: 18163696
[TBL] [Abstract][Full Text] [Related]
3. The role of surface and subsurface point defects for chemical model studies on TiO2: a first-principles theoretical study of formaldehyde bonding on rutile TiO2(110).
Haubrich J; Kaxiras E; Friend CM
Chemistry; 2011 Apr; 17(16):4496-506. PubMed ID: 21433119
[TBL] [Abstract][Full Text] [Related]
4. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation.
Chrétien S; Metiu H
J Chem Phys; 2008 Aug; 129(7):074705. PubMed ID: 19044790
[TBL] [Abstract][Full Text] [Related]
5. Theoretical study of adsorption of O((3)P) and H(2)O on the rutile TiO(2)(110) surface.
Qu ZW; Kroes GJ
J Phys Chem B; 2006 Nov; 110(46):23306-14. PubMed ID: 17107180
[TBL] [Abstract][Full Text] [Related]
6. Interaction of Pt clusters with the anatase TiO(2)(101) surface: a first principles study.
Han Y; Liu CJ; Ge Q
J Phys Chem B; 2006 Apr; 110(14):7463-72. PubMed ID: 16599526
[TBL] [Abstract][Full Text] [Related]
7. Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics.
Kotomin EA; Mastrikov YA; Heifets E; Maier J
Phys Chem Chem Phys; 2008 Aug; 10(31):4644-9. PubMed ID: 18665314
[TBL] [Abstract][Full Text] [Related]
8. Evidence from first principles calculations for a bent CO2 intermediate in the oxidation of carbon monoxide on the Cu (110) surface.
Liem SY; Clarke JH
J Chem Phys; 2004 Sep; 121(9):4339-45. PubMed ID: 15332984
[TBL] [Abstract][Full Text] [Related]
9. N2O decomposition on TiO2 (110) from dynamic first-principles calculations.
Oviedo J; Sanz JF
J Phys Chem B; 2005 Sep; 109(34):16223-6. PubMed ID: 16853062
[TBL] [Abstract][Full Text] [Related]
10. Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101).
Cheng H; Selloni A
J Chem Phys; 2009 Aug; 131(5):054703. PubMed ID: 19673581
[TBL] [Abstract][Full Text] [Related]
11. CO oxidation on PdO surfaces.
Hirvi JT; Kinnunen TJ; Suvanto M; Pakkanen TA; Nørskov JK
J Chem Phys; 2010 Aug; 133(8):084704. PubMed ID: 20815587
[TBL] [Abstract][Full Text] [Related]
12. Structure of gold atoms on stoichiometric and defective ceria surfaces.
Zhang C; Michaelides A; King DA; Jenkins SJ
J Chem Phys; 2008 Nov; 129(19):194708. PubMed ID: 19026082
[TBL] [Abstract][Full Text] [Related]
13. Density functional theory study of the adsorption of alkanethiols on Cu(111), Ag(111), and Au(111) in the low and high coverage regimes.
Cometto FP; Paredes-Olivera P; Macagno VA; Patrito EM
J Phys Chem B; 2005 Nov; 109(46):21737-48. PubMed ID: 16853824
[TBL] [Abstract][Full Text] [Related]
14. Au atoms and dimers on the MgO(100) surface: a DFT study of nucleation at defects.
Del Vitto A; Pacchioni G; Delbecq F; Sautet P
J Phys Chem B; 2005 Apr; 109(16):8040-8. PubMed ID: 16851939
[TBL] [Abstract][Full Text] [Related]
15. Density functional study of the interaction between small Au clusters, Au(n) (n=1-7) and the rutile TiO(2) surface. I. Adsorption on the stoichiometric surface.
Chrétien S; Metiu H
J Chem Phys; 2007 Aug; 127(8):084704. PubMed ID: 17764281
[TBL] [Abstract][Full Text] [Related]
16. Atomic hydrogen adsorption and incipient hydrogenation of the Mg(0001) surface: a density-functional theory study.
Li Y; Zhang P; Sun B; Yang Y; Wei Y
J Chem Phys; 2009 Jul; 131(3):034706. PubMed ID: 19624220
[TBL] [Abstract][Full Text] [Related]
17. Methanol adsorption on the beta-Ga2O3 surface with oxygen vacancies: theoretical and experimental approach.
Branda MM; Collins SE; Castellani NJ; Baltanas MA; Bonivardi AL
J Phys Chem B; 2006 Jun; 110(24):11847-53. PubMed ID: 16800487
[TBL] [Abstract][Full Text] [Related]
18. Adsorption, vibration, and diffusion of O atoms on Rh low-index and (711) stepped defective surfaces.
Diao ZY; Hao C; Wang ZX; Dong CC; Pang XH
J Phys Chem B; 2005 Jun; 109(25):12467-73. PubMed ID: 16852541
[TBL] [Abstract][Full Text] [Related]
19. Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation.
Fronzi M; Piccinin S; Delley B; Traversa E; Stampfl C
Phys Chem Chem Phys; 2009 Oct; 11(40):9188-99. PubMed ID: 19812840
[TBL] [Abstract][Full Text] [Related]
20. Oxygen vacancies on TiO2 (110) from first principles calculations.
Oviedo J; San Miguel MA; Sanz JF
J Chem Phys; 2004 Oct; 121(15):7427-33. PubMed ID: 15473815
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]