Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study

2020 ◽  
Vol 312 ◽  
pp. 113400 ◽  
Author(s):  
Mehdi Shakourian-Fard ◽  
Hamid Reza Ghenaatian ◽  
Ganesh Kamath ◽  
S. Maryamdokht Taimoory
Keyword(s):  
Ionic Liquids ◽  
Nitrogen Doping ◽  
Adsorption Properties ◽  
Dft Study ◽  
Graphene Nanoflakes

scholarly journals Boron and nitrogen doping in graphene: an experimental and density functional theory (DFT) study

Nano Express ◽  
2020 ◽  
Vol 1 (1) ◽  
pp. 010027
Author(s):  
Cantekin Kaykılarlı ◽  
Deniz Uzunsoy ◽  
Ebru Devrim Şam Parmak ◽  
Mehmet Ferdi Fellah ◽  
Özgen Çolak Çakır
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Nitrogen Doping ◽  
Dft Study ◽  
Functional Theory

DFT study of CO2 adsorption properties on pristine, vacancy and doped graphenes

2021 ◽  
pp. 114436
Author(s):  
Chengrui Wang ◽  
Yanhong Fang ◽  
Huamei Duan ◽  
Guangfen Liang ◽  
Wanying Li ◽  
...  
Keyword(s):  
Co2 Adsorption ◽  
Adsorption Properties ◽  
Dft Study

DFT Study on the Chemical Absorption Mechanism of CO2 in Diamino Protic Ionic Liquids

2021 ◽  
Vol 125 (5) ◽  
pp. 1416-1428
Author(s):  
Jing Ma ◽  
Yutong Wang ◽  
Xueqing Yang ◽  
Mingxuan Zhu ◽  
Baohe Wang
Keyword(s):  
Ionic Liquids ◽  
Dft Study ◽  
Protic Ionic Liquids ◽  
Absorption Mechanism ◽  
Chemical Absorption

Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

2021 ◽  
pp. 116251
Author(s):  
M.A. Olea-Amezcua ◽  
J.E. Castellanos-Águila ◽  
H. HernÁndez-Cocoletzi ◽  
E. Ferreira ◽  
M. Trejo-Durán ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Dft Study ◽  
Side Chain ◽  
Side Chain Length ◽  
Nlo Properties

Nitrogen doping of mesoporous graphene nanoflakes as a way to enhance their electrochemical performance in ionic liquid-based supercapacitors

2020 ◽  
Vol 30 ◽  
pp. 101464
Author(s):  
Ekaterina A. Arkhipova ◽  
Anton S. Ivanov ◽  
Konstantin I. Maslakov ◽  
Serguei V. Savilov
Keyword(s):  
Ionic Liquid ◽  
Electrochemical Performance ◽  
Nitrogen Doping ◽  
Graphene Nanoflakes
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