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.

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
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