Hydrogen physisorption on nitrogen-doped graphene and graphene-like boron nitride-carbon heterostructures: a DFT study

2019 ◽  
Vol 17 ◽  
pp. 100355 ◽  
Author(s):  
I.K. Petrushenko ◽  
K.B. Petrushenko
Keyword(s):  
Boron Nitride ◽  
Dft Study ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Probing the effect of different graphitic nitrogen sites on the aerobic oxidation of thiols to disulfides: a DFT study

2018 ◽  
Vol 20 (3) ◽  
pp. 2057-2065 ◽  
Author(s):  
J. Vijaya Sundar ◽  
M. Kamaraj ◽  
V. Subramanian
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Aerobic Oxidation ◽  
Dft Study ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

An attempt has been made to investigate the possibility of utilizing nitrogen doped graphene for the aerobic oxidation of thiols to disulfides using density functional theory.

scholarly journals Bonding Effects in Nitrogen Doped Graphene and Hexagonal Boron Nitride

2010 ◽  
Vol 16 (S2) ◽  
pp. 542-543 ◽  
Author(s):  
J Meyer ◽  
S Kurasch ◽  
H-J Park ◽  
V Skakalova ◽  
D Künzel ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Extended abstract of a paper presented at Microscopy and Microanalysis 2010 in Portland, Oregon, USA, August 1 – August 5, 2010.

Adsorption characteristics of formaldehyde on nitrogen doped graphene-based single atom adsorbents: A DFT study

2019 ◽  
Vol 493 ◽  
pp. 1260-1267 ◽  
Author(s):  
Zhijian Liu ◽  
Dewang Zhang ◽  
Tianhe Wei ◽  
Liangqi Wang ◽  
Xiaojing Li ◽  
...  
Keyword(s):  
Dft Study ◽  
Single Atom ◽  
Nitrogen Doped ◽  
Adsorption Characteristics ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene
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