Adsorption properties of amino acid-based ionic liquids (AAILs) on edge fluorinated graphene surface – a DFT study

2021 ◽  
pp. 1-12
Author(s):  
Muraledharan Shyama ◽  
Senthilkumar Lakshmipathi
Keyword(s):  
Ionic Liquids ◽  
Amino Acid ◽  
Adsorption Properties ◽  
Dft Study ◽  
Graphene Surface ◽  
Fluorinated Graphene

Trends of amino acid adsorption onto graphene and graphene oxide surfaces: a dispersion corrected DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (113) ◽  
pp. 92843-92857 ◽  
Author(s):  
H. Tavassoli Larijani ◽  
M. Darvish Ganji ◽  
M. Jahanshahi
Keyword(s):  
Amino Acids ◽  
Graphene Oxide ◽  
Amino Acid ◽  
Adsorption Properties ◽  
Dft Study ◽  
Oxide Surfaces ◽  
First Principle ◽  
First Principle Calculations

First-principle calculations based on DFT were performed to investigate the adsorption properties of amino acids onto graphene surfaces.

scholarly journals Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study

2020 ◽  
Vol 0 (0) ◽  
pp. 2002021-0
Author(s):  
Zhiwei Wu ◽  
Weilu Ding ◽  
Yaqin Zhang ◽  
Yanlei Wang ◽  
Hongyan He
Keyword(s):  
Ionic Liquids ◽  
Amino Acid ◽  
Dft Study ◽  
Imidazolium Ionic Liquids

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

Molecular dynamics simulation of amino acid ionic liquids near a graphene electrode: effects of alkyl side-chain length

2016 ◽  
Vol 18 (48) ◽  
pp. 33053-33067 ◽  
Author(s):  
Behnoosh Sadeghi Moghadam ◽  
Mohammad Razmkhah ◽  
Mohammad Taghi Hamed Mosavian ◽  
Fatemeh Moosavi
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Amino Acid ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Graphene Surface ◽  
Nanoscopic Structure

The nanoscopic structure of amino acid ionic liquids (AAILs) as biodegradable electrolytes near a neutral graphene surface was studied by molecular dynamics (MD) simulation.

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
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