281 related articles for article (PubMed ID: 25690364)
1. A density functional theory study of hydrocarbon combustion and synthesis on Ni surfaces.
Mohsenzadeh A; Richards T; Bolton K
J Mol Model; 2015 Mar; 21(3):46. PubMed ID: 25690364
[TBL] [Abstract][Full Text] [Related]
2. DFT studies of hydrocarbon combustion on metal surfaces.
Arya M; Mirzaei AA; Davarpanah AM; Barakati SM; Atashi H; Mohsenzadeh A; Bolton K
J Mol Model; 2018 Feb; 24(2):47. PubMed ID: 29396776
[TBL] [Abstract][Full Text] [Related]
3. General rules for predicting where a catalytic reaction should occur on metal surfaces: a density functional theory study of C-H and C-O bond breaking/making on flat, stepped, and kinked metal surfaces.
Liu ZP; Hu P
J Am Chem Soc; 2003 Feb; 125(7):1958-67. PubMed ID: 12580623
[TBL] [Abstract][Full Text] [Related]
4. CO2 reforming of CH4 on Ni(111): a density functional theory calculation.
Wang SG; Cao DB; Li YW; Wang J; Jiao H
J Phys Chem B; 2006 May; 110(20):9976-83. PubMed ID: 16706455
[TBL] [Abstract][Full Text] [Related]
5. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.
Chin YH; Buda C; Neurock M; Iglesia E
J Am Chem Soc; 2011 Oct; 133(40):15958-78. PubMed ID: 21919447
[TBL] [Abstract][Full Text] [Related]
6. Improved catalytic activity of rhodium monolayer modified nickel (110) surface for the methane dehydrogenation reaction: a first-principles study.
Bothra P; Pati SK
Nanoscale; 2014 Jun; 6(12):6738-44. PubMed ID: 24820886
[TBL] [Abstract][Full Text] [Related]
7. Development and Assessment of a Criterion for the Application of Brønsted-Evans-Polanyi Relations for Dissociation Catalytic Reactions at Surfaces.
Ding ZB; Maestri M
Ind Eng Chem Res; 2019 Jun; 58(23):9864-9874. PubMed ID: 31303692
[TBL] [Abstract][Full Text] [Related]
8. Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni3Fe surfaces: a computational investigation.
Yang K; Zhang M; Yu Y
Phys Chem Chem Phys; 2015 Nov; 17(44):29616-27. PubMed ID: 26478478
[TBL] [Abstract][Full Text] [Related]
9. Water dissociation on Ni(100) and Ni(111): effect of surface temperature on reactivity.
Seenivasan H; Tiwari AK
J Chem Phys; 2013 Nov; 139(17):174707. PubMed ID: 24206322
[TBL] [Abstract][Full Text] [Related]
10. Photoelectron spectroscopic and electronic structure studies of CH(2)O bonding and reactivity on ZnO surfaces: steps in the methanol synthesis reaction.
Jones PM; May JA; Reitz JB; Solomon EI
Inorg Chem; 2004 May; 43(11):3349-70. PubMed ID: 15154797
[TBL] [Abstract][Full Text] [Related]
11. First-principles study of C adsorption, O adsorption, and CO dissociation on flat and stepped Ni surfaces.
Li T; Bhatia B; Sholl DS
J Chem Phys; 2004 Nov; 121(20):10241-9. PubMed ID: 15549900
[TBL] [Abstract][Full Text] [Related]
12. Kinetic mechanism of methanol decomposition on Ni(111) surface: a theoretical study.
Wang GC; Zhou YH; Morikawa Y; Nakamura J; Cai ZS; Zhao XZ
J Phys Chem B; 2005 Jun; 109(25):12431-42. PubMed ID: 16852538
[TBL] [Abstract][Full Text] [Related]
13. Mechanism of Ni N-heterocyclic carbene catalyst for C-O bond hydrogenolysis of diphenyl ether: a density functional study.
Sawatlon B; Wititsuwannakul T; Tantirungrotechai Y; Surawatanawong P
Dalton Trans; 2014 Dec; 43(48):18123-33. PubMed ID: 25355042
[TBL] [Abstract][Full Text] [Related]
14. Insight into both coverage and surface structure dependent CO adsorption and activation on different Ni surfaces from DFT and atomistic thermodynamics.
Hao X; Wang B; Wang Q; Zhang R; Li D
Phys Chem Chem Phys; 2016 Jun; 18(26):17606-18. PubMed ID: 27306737
[TBL] [Abstract][Full Text] [Related]
15. Density functional theory studies of methyl dissociation on a Ni(111) surface in the presence of an external electric field.
Che F; Zhang R; Hensley AJ; Ha S; McEwen JS
Phys Chem Chem Phys; 2014 Feb; 16(6):2399-410. PubMed ID: 24352204
[TBL] [Abstract][Full Text] [Related]
16. CO
Kwawu CR; Tia R; Adei E; Dzade NY; Catlow CRA; de Leeuw NH
Phys Chem Chem Phys; 2017 Jul; 19(29):19478-19486. PubMed ID: 28718470
[TBL] [Abstract][Full Text] [Related]
17. Prevalence of Bimolecular Routes in the Activation of Diatomic Molecules with Strong Chemical Bonds (O2, NO, CO, N2) on Catalytic Surfaces.
Hibbitts D; Iglesia E
Acc Chem Res; 2015 May; 48(5):1254-62. PubMed ID: 25921328
[TBL] [Abstract][Full Text] [Related]
18. How does the nickel pincer complex catalyze the conversion of CO2 to a methanol derivative? A computational mechanistic study.
Huang F; Zhang C; Jiang J; Wang ZX; Guan H
Inorg Chem; 2011 Apr; 50(8):3816-25. PubMed ID: 21413735
[TBL] [Abstract][Full Text] [Related]
19. Water dissociation on Ni(100), Ni(110), and Ni(111) surfaces: Reaction path approach to mode selectivity.
Seenivasan H; Jackson B; Tiwari AK
J Chem Phys; 2017 Feb; 146(7):074705. PubMed ID: 28228037
[TBL] [Abstract][Full Text] [Related]
20. Catalytic hydrogenation of CO
Esrafili MD; Sharifi F; Dinparast L
J Mol Graph Model; 2017 Oct; 77():143-152. PubMed ID: 28858642
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]