Partial Electrooxidation of Glycerol on Close-Packed Transition Metal Surfaces: Insights from First-Principles Calculations

2020 ◽  
Vol 124 (33) ◽  
pp. 17907-17915
Author(s):  
Mikael Valter ◽  
Egon Campos dos Santos ◽  
Lars G. M. Pettersson ◽  
Anders Hellman
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Surfaces ◽  
First Principles Calculations ◽  
Transition Metal Surfaces

scholarly journals Complex magnetism of iron monolayers on hexagonal transition metal surfaces from first principles

2009 ◽  
Vol 79 (9) ◽  
Author(s):  
B. Hardrat ◽  
A. Al-Zubi ◽  
P. Ferriani ◽  
S. Blügel ◽  
G. Bihlmayer ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Surfaces ◽  
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.

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