DFT study of adsorption of glyphosate pesticide on Pt-Cu decorated pyridine-like nitrogen-doped graphene

2020 ◽  
Vol 22 (1) ◽  
Author(s):  
Mandeep ◽  
Archa Gulati ◽  
Rita Kakkar
Keyword(s):  
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.

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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