Identification of electronic descriptor for catalytic activity of transition-metal and non-metal doped MoS2

2021 ◽  
Author(s):  
Zijuan Xie ◽  
Xiang Huang ◽  
Zhe Zhang ◽  
Hu Xu
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Transition Metals ◽  
Transition Metal Compounds ◽  
Band Theory ◽  
Metal Compounds ◽  
Reactivity Descriptors ◽  
Metal Doped

While the d-band theory offers successful electronic descriptors for catalytic activity of transition metals, transition metal compounds still need substantial theoretical input for the identification of reactivity descriptors for fast...

Investigation of the catalytic activity of lamellar graphite-transition metal compounds in the synthesis of ammonia

1975 ◽  
Vol 24 (12) ◽  
pp. 2529-2532 ◽  
Author(s):  
V. A. Postnikov ◽  
L. M. Dmitrienko ◽  
R. F. Ivanova ◽  
N. L. Dobrolyubova ◽  
M. A. Golubeva ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Transition Metal Compounds ◽  
Metal Compounds ◽  
Lamellar Graphite

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

Superconductivity of some transition metal compounds

1980 ◽  
Vol 34 (1) ◽  
pp. 45-50 ◽  
Author(s):  
A.Nørlund Christensen ◽  
S.E. Rasmussen ◽  
G. Thirup
Keyword(s):  
Transition Metal ◽  
Transition Metal Compounds ◽  
Metal Compounds
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