scholarly journals Structural stability and O2 dissociation on nitrogen-doped graphene with transition metal atoms embedded: A first-principles study

AIP Advances ◽  
2015 ◽  
Vol 5 (6) ◽  
pp. 067136 ◽  
Author(s):  
Mingye Yang ◽  
Lu Wang ◽  
Min Li ◽  
Tingjun Hou ◽  
Youyong Li
Keyword(s):  
Transition Metal ◽  
Structural Stability ◽  
First Principles ◽  
Nitrogen Doped ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
O2 Dissociation

scholarly journals On the active site for electrocatalytic water splitting on late transition metals embedded in graphene

2019 ◽  
Vol 9 (23) ◽  
pp. 6793-6799
Author(s):  
Thomas Kropp ◽  
Michael Rebarchik ◽  
Manos Mavrikakis
Keyword(s):  
Water Splitting ◽  
Active Site ◽  
Late Transition Metals ◽  
Nitrogen Doped ◽  
Metal Atoms ◽  
Open Questions ◽  
Transition Metal Atoms ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Late Transition

Transition-metal atoms embedded in nitrogen-doped graphene can be used for electrocatalytic water splitting, but there are open questions regarding the identity of the active site.

Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

2018 ◽  
Vol 115 ◽  
pp. 108-115 ◽  
Author(s):  
Guo-Xiang Chen ◽  
Han-Fei Li ◽  
Xu Yang ◽  
Jun-Qing Wen ◽  
Qing Pang ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms
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