The role of adatoms (C,S) and surface structure in thiophene hydrodesulfurization over transition metal surfaces: A surface science and catalytic study

1988 ◽  
Author(s):  
M. E. Bussell
Keyword(s):  
Transition Metal ◽  
Surface Structure ◽  
Surface Science ◽  
Metal Surfaces ◽  
Thiophene Hydrodesulfurization ◽  
Transition Metal Surfaces

Trends in water-promoted oxygen dissociation on the transition metal surfaces from first principles

2017 ◽  
Vol 19 (3) ◽  
pp. 2364-2371 ◽  
Author(s):  
Ming Yan ◽  
Zheng-Qing Huang ◽  
Yu Zhang ◽  
Chun-Ran Chang
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Surfaces ◽  
Oxygen Dissociation ◽  
Transition Metal Surfaces

The trend of O2 dissociation on the nine transition metal surfaces and the promotional role of water were systematically investigated.

scholarly journals Towards understanding the role of carbon atoms on transition metal surfaces: Implications for catalysis

2020 ◽  
Vol 513 ◽  
pp. 145765
Author(s):  
Biel Martínez ◽  
Oriol Piqué ◽  
Hèctor Prats ◽  
Francesc Viñes ◽  
Francesc Illas
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Transition Metal Surfaces

scholarly journals Role of Subsurface Oxygen in Oxide Formation at Transition Metal Surfaces

2002 ◽  
Vol 89 (9) ◽  
Author(s):  
M. Todorova ◽  
W. X. Li ◽  
M. V. Ganduglia-Pirovano ◽  
C. Stampfl ◽  
K. Reuter ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Oxide Formation ◽  
Transition Metal Surfaces ◽  
Subsurface Oxygen

Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces

2020 ◽  
Vol 22 (31) ◽  
pp. 17646-17658
Author(s):  
Raquel C. Bezerra ◽  
Paulo C. D. Mendes ◽  
Raimundo R. Passos ◽  
Juarez L. F. Da Silva
Keyword(s):  
Fuel Cells ◽  
Transition Metal ◽  
Ethylene Glycol ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Adsorption Properties ◽  
Direct Alcohol Fuel Cells ◽  
Alcohol Fuel ◽  
Transition Metal Surfaces

Ethylene glycol (EG) has been considered as a promising alcohol for direct alcohol fuel cells. In this study, we develop an atomistic understanding of its interaction with doped transition-metal surfaces.

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