Density functional study of hydrogen adsorption and diffusion on Ni-loaded graphene and graphene oxide

2014 ◽  
Vol 114 (13) ◽  
pp. 879-884 ◽  
Author(s):  
Qingzheng Li ◽  
Houyuan Wang ◽  
Haiping Xia ◽  
Shihao Wei ◽  
Jianhui Yang
Keyword(s):  
Graphene Oxide ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Functional Study ◽  
Density Functional Study ◽  
And Diffusion

Density Functional Study of Molecular Hydrogen Adsorption on Small Gold–Copper Binary Clusters

2015 ◽  
Vol 26 (2) ◽  
pp. 491-503 ◽  
Author(s):  
Shuang Zhao ◽  
XinZhe Tian ◽  
JunNa Liu ◽  
YunLai Ren ◽  
YunLi Ren ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Functional Study ◽  
Density Functional Study ◽  
Binary Clusters

scholarly journals Graphene oxide and adsorption of chloroform: A density functional study

2016 ◽  
Vol 144 (18) ◽  
pp. 184704 ◽  
Author(s):  
Elena Kuisma ◽  
C. Fredrik Hansson ◽  
Th. Benjamin Lindberg ◽  
Christoffer A. Gillberg ◽  
Sebastian Idh ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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).

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