These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
127 related articles for article (PubMed ID: 26876056)
1. Incorrect DFT-GGA predictions of the stability of non-stoichiometric/polar dielectric surfaces: the case of Cu2O(111). Nilius N; Fedderwitz H; Groß B; Noguera C; Goniakowski J Phys Chem Chem Phys; 2016 Mar; 18(9):6729-33. PubMed ID: 26876056 [TBL] [Abstract][Full Text] [Related]
2. Selective molecular adsorption in sub-nanometer cages of a Cu2O surface oxide. Mudiyanselage K; An W; Yang F; Liu P; Stacchiola DJ Phys Chem Chem Phys; 2013 Jul; 15(26):10726-31. PubMed ID: 23685717 [TBL] [Abstract][Full Text] [Related]
3. Surfaces of complex intermetallic compounds: insights from density functional calculations. Hafner J; Krajčí M Acc Chem Res; 2014 Nov; 47(11):3378-84. PubMed ID: 24741993 [TBL] [Abstract][Full Text] [Related]
4. First-principles predictions of the structure, stability, and photocatalytic potential of Cu2O surfaces. Bendavid LI; Carter EA J Phys Chem B; 2013 Dec; 117(49):15750-60. PubMed ID: 24138294 [TBL] [Abstract][Full Text] [Related]
5. A DFT study of adsorption of imidazole, triazole, and tetrazole on oxidized copper surfaces: Cu₂O(111) and Cu₂O(111)-w/o-CuCUS. Gustinčič D; Kokalj A Phys Chem Chem Phys; 2015 Nov; 17(43):28602-15. PubMed ID: 26443103 [TBL] [Abstract][Full Text] [Related]
7. Atomistic determination of the surface structure of Cu Zhang R; Li L; Frazer L; Chang KB; Poeppelmeier KR; Chan MKY; Guest JR Phys Chem Chem Phys; 2018 Nov; 20(43):27456-27463. PubMed ID: 30357202 [TBL] [Abstract][Full Text] [Related]
8. Termination-dependent electronic structure and atomic-scale screening behavior of the Cu Gloystein A; Nilius N; Noguera C; Goniakowski J J Phys Condens Matter; 2021 Sep; 33(48):. PubMed ID: 34500440 [TBL] [Abstract][Full Text] [Related]
9. Structure and chemical reactivity of the polar three-fold surfaces of GaPd: a density-functional study. Krajčí M; Hafner J J Chem Phys; 2013 Mar; 138(12):124703. PubMed ID: 23556738 [TBL] [Abstract][Full Text] [Related]
10. First-principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface. Zhang GX; Xie Y; Yu HT; Fu HG J Comput Chem; 2009 Sep; 30(12):1785-98. PubMed ID: 19090567 [TBL] [Abstract][Full Text] [Related]
12. Reduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorption. Maimaiti Y; Nolan M; Elliott SD Phys Chem Chem Phys; 2014 Feb; 16(7):3036-46. PubMed ID: 24394338 [TBL] [Abstract][Full Text] [Related]
13. DFT+U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs. Arroyo-de Dompablo ME; Morales-García A; Taravillo M J Chem Phys; 2011 Aug; 135(5):054503. PubMed ID: 21823708 [TBL] [Abstract][Full Text] [Related]
14. A first-principles investigation of the stabilities and electronic properties of SrZrO3 (1 1 0) (1 × 1) polar terminations. Chen H; Xie Y; Zhang GX; Yu HT J Phys Condens Matter; 2014 Oct; 26(39):395002. PubMed ID: 25138270 [TBL] [Abstract][Full Text] [Related]
15. A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄. Santos-Carballal D; Roldan A; Grau-Crespo R; de Leeuw NH Phys Chem Chem Phys; 2014 Oct; 16(39):21082-97. PubMed ID: 24874778 [TBL] [Abstract][Full Text] [Related]
16. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007). Hafner J J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862 [TBL] [Abstract][Full Text] [Related]
17. Thermodynamic, electronic and structural properties of Cu/CeO2 surfaces and interfaces from first-principles DFT+U calculations. Szabová L; Camellone MF; Huang M; Matolín V; Fabris S J Chem Phys; 2010 Dec; 133(23):234705. PubMed ID: 21186882 [TBL] [Abstract][Full Text] [Related]
18. A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfaces. Mishra AK; Roldan A; de Leeuw NH J Chem Phys; 2016 Jul; 145(4):044709. PubMed ID: 27475388 [TBL] [Abstract][Full Text] [Related]
19. Density functional study of the stability of various α-Bi2O3 surfaces. Lei YH; Chen ZX J Chem Phys; 2013 Feb; 138(5):054703. PubMed ID: 23406137 [TBL] [Abstract][Full Text] [Related]