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DFT study of the adsorption of 2, 3, 7, 8-tetrachlorodibenzofuran (TCDF) on vacancy-defected graphene doped with Mn and Fe
Current Applied Physics
◽
10.1016/j.cap.2017.10.011
◽
2018
◽
Vol 18
(1)
◽
pp. 61-67
◽
Cited By ~ 10
Author(s):
Qingxiao Zhou
◽
Yongliang Yong
◽
Weiwei Ju
◽
Xiangying Su
◽
Xiaohong Li
◽
...
Keyword(s):
Dft Study
◽
Defected Graphene
Download Full-text
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References
Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study
Structural Chemistry
◽
10.1007/s11224-020-01578-w
◽
2020
◽
Vol 31
(6)
◽
pp. 2413-2434
Author(s):
Rajamani Akilan
◽
Saravanan Vinnarasi
◽
Subramani Mohanapriya
◽
Ramasamy Shankar
Keyword(s):
Dft Study
◽
Graphene Sheets
◽
Defected Graphene
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DFT study of formaldehyde adsorption on vacancy defected graphene doped with B, N, and S
Chemical Physics
◽
10.1016/j.chemphys.2014.06.016
◽
2014
◽
Vol 440
◽
pp. 80-86
◽
Cited By ~ 44
Author(s):
Qingxiao Zhou
◽
Lei Yuan
◽
Xi Yang
◽
Zhibing Fu
◽
Yongjian Tang
◽
...
Keyword(s):
Dft Study
◽
Formaldehyde Adsorption
◽
Defected Graphene
Download Full-text
Adsorption mechanism of SO2 on vacancy-defected graphene and Ti doped graphene: A DFT study
Superlattices and Microstructures
◽
10.1016/j.spmi.2021.107036
◽
2021
◽
pp. 107036
Author(s):
Zhendong Zhang
◽
Bin Liang
◽
Yaqing Chi
◽
Yande Jiang
◽
Juan Song
◽
...
Keyword(s):
Adsorption Mechanism
◽
Dft Study
◽
Doped Graphene
◽
Defected Graphene
Download Full-text
Synergistic effect of Cu decoration and N doping in divacancy defected graphene nanoribbons on hydrogen gas sensing properties: DFT study
Materials Chemistry and Physics
◽
10.1016/j.matchemphys.2021.125093
◽
2021
◽
pp. 125093
Author(s):
Mehak Singla
◽
Neena Jaggi
Keyword(s):
Synergistic Effect
◽
Gas Sensing
◽
Graphene Nanoribbons
◽
Hydrogen Gas
◽
Dft Study
◽
Sensing Properties
◽
Gas Sensing Properties
◽
N Doping
◽
Defected Graphene
Download Full-text
Adsorption behavior of SO 2 on vacancy-defected graphene: A DFT study
Journal of Physics and Chemistry of Solids
◽
10.1016/j.jpcs.2017.05.007
◽
2017
◽
Vol 109
◽
pp. 40-45
◽
Cited By ~ 22
Author(s):
Qingxiao Zhou
◽
Weiwei Ju
◽
Xiangying Su
◽
Yongliang Yong
◽
Xiaohong Li
Keyword(s):
Adsorption Behavior
◽
Dft Study
◽
Defected Graphene
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Adsorption sensitivity of defected graphene towards NO molecule: a DFT study
Journal of the Iranian Chemical Society
◽
10.1007/s13738-018-1373-4
◽
2018
◽
Vol 15
(8)
◽
pp. 1755-1763
◽
Cited By ~ 2
Author(s):
Qingxiao Zhou
◽
Yongliang Yong
◽
Xiangying Su
◽
Weiwei Ju
◽
Zhibing Fu
◽
...
Keyword(s):
Dft Study
◽
Defected Graphene
Download Full-text
Effect of side chain edge functionalization in pristine and defected graphene-DFT study
Computational and Theoretical Chemistry
◽
10.1016/j.comptc.2018.05.006
◽
2018
◽
Vol 1135
◽
pp. 34-47
◽
Cited By ~ 4
Author(s):
V.S. Anithaa
◽
S. Vijayakumar
Keyword(s):
Dft Study
◽
Side Chain
◽
Defected Graphene
Download Full-text
The improved CO adsorption/sensing performance of Stone-Wales defected graphene doped with Fe: A DFT study
Physica E Low-dimensional Systems and Nanostructures
◽
10.1016/j.physe.2020.114603
◽
2020
◽
pp. 114603
Author(s):
Shulin Yang
◽
Xiaohan Qian
◽
Huoxi Xu
◽
Juan Xiong
◽
Zhao Wang
◽
...
Keyword(s):
Co Adsorption
◽
Dft Study
◽
Sensing Performance
◽
Defected Graphene
Download Full-text
Enhanced Li+ ion adsorption on pristine and defected graphene via organic radical interaction – A DFT study
Physica B Condensed Matter
◽
10.1016/j.physb.2020.412700
◽
2021
◽
Vol 611
◽
pp. 412700
Author(s):
Sangavi Shanmugam
◽
Santhanamoorthi Nachimuthu
◽
Vijayakumar Subramaniam
Keyword(s):
Dft Study
◽
Organic Radical
◽
Ion Adsorption
◽
Li Ion
◽
Radical Interaction
◽
Defected Graphene
Download Full-text
DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives
10.3390/ecsoc-13-00147
◽
2009
◽
Author(s):
Manuel Fernández-Gómez
◽
Amparo Navarro
◽
MªPaz Fernández-Liencres
◽
Mónica Moral
◽
José Manuel Granadino-Roldán
◽
...
Keyword(s):
Electronic Properties
◽
Dft Study
Download Full-text
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