1T-MoS2 monolayer doped with isolated Ni atoms as highly active hydrogen evolution catalysts: A density functional study

2019 ◽  
Vol 469 ◽  
pp. 292-297 ◽  
Author(s):  
Yu Hao ◽  
Ya-Tong Wang ◽  
Li-Chun Xu ◽  
Zhi Yang ◽  
Rui-ping Liu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Density Functional ◽  
Functional Study ◽  
Active Hydrogen ◽  
Density Functional Study ◽  
Mos2 Monolayer ◽  
Highly Active

Tuning the activity of the inert MoS2 surface via graphene oxide support doping towards chemical functionalization and hydrogen evolution: a density functional study

2018 ◽  
Vol 20 (3) ◽  
pp. 1861-1871 ◽  
Author(s):  
Shaobin Tang ◽  
Weihua Wu ◽  
Shiyong Zhang ◽  
Dongnai Ye ◽  
Ping Zhong ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Chemical Functionalization ◽  
Oxide Support

A N-doped GO support effectively tunes the activity of the inert MoS2 surface towards chemical functionalization and the hydrogen evolution reaction (HER).

Density Functional Study of Hydrogen Evolution on Cobalt-Embedded Carbon Nanotubes: Effects of Doping and Surface Curvature

2018 ◽  
Vol 1 (11) ◽  
pp. 6258-6268 ◽  
Author(s):  
Lianming Zhao ◽  
Sheng Guo ◽  
Haijun Liu ◽  
Houyu Zhu ◽  
Saifei Yuan ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Evolution ◽  
Density Functional ◽  
Surface Curvature ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide: a density functional study

2018 ◽  
Vol 20 (21) ◽  
pp. 14679-14687 ◽  
Author(s):  
Ivana Matanovic ◽  
Fernando H. Garzon
Keyword(s):  
Hydrogen Evolution ◽  
Density Functional ◽  
Molybdenum Carbide ◽  
Functional Study ◽  
Density Functional Study

The (111) surface of cubic MoC was found to be active for nitrogen electroreduction to ammonia via an associative Heyrovsky path.

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