DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene

Applied Surface Science ◽

10.1016/j.apsusc.2014.08.141 ◽

2014 ◽

Vol 317 ◽

pp. 511-516 ◽

Cited By ~ 79

Author(s):

Hong-ping Zhang ◽

Xue-gang Luo ◽

Hong-tao Song ◽

Xiao-yan Lin ◽

Xiong Lu ◽

...

Keyword(s):

Dft Study ◽

Doped Graphene ◽

Adsorption And Dissociation

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Adsorption properties of fission gases Xe and Kr on pristine and doped graphene: A first principle DFT study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2017.04.017 ◽

2017 ◽

Vol 490 ◽

pp. 174-180 ◽

Cited By ~ 5

Author(s):

Tijo Vazhappilly ◽

Tapan K. Ghanty ◽

B.N. Jagatap

Keyword(s):

Adsorption Properties ◽

Dft Study ◽

First Principle ◽

Doped Graphene

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DFT study of methanol adsorption and dissociation on β-Mo2C(001)

Surface Science ◽

10.1016/j.susc.2008.04.039 ◽

2008 ◽

Vol 602 (13) ◽

pp. 2206-2211 ◽

Cited By ~ 53

Author(s):

C. Pistonesi ◽

A. Juan ◽

A.P. Farkas ◽

F. Solymosi

Keyword(s):

Dft Study ◽

Methanol Adsorption ◽

Adsorption And Dissociation

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Electronic Properties of Doped Graphene Nanoribbon and the Electron Distribution Contours: A DFT Study

Russian Journal of Physical Chemistry B ◽

10.1134/s1990793121010188 ◽

2021 ◽

Vol 15 (1) ◽

pp. 46-52

Author(s):

Mohammed L. Jabbar ◽

Kadhim J. Kadhim

Keyword(s):

Electronic Properties ◽

Electron Distribution ◽

Graphene Nanoribbon ◽

Dft Study ◽

Doped Graphene

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Adsorption and dissociation mechanism of hydrogen sulfide on layered FeS surfaces: A dispersion-corrected DFT study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147905 ◽

2021 ◽

Vol 537 ◽

pp. 147905 ◽

Cited By ~ 1

Author(s):

Xiangli Wen ◽

Pengpeng Bai ◽

Shuqi Zheng ◽

Yu Tian

Keyword(s):

Hydrogen Sulfide ◽

Dft Study ◽

Dissociation Mechanism ◽

Adsorption And Dissociation

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A DFT study of the ORR on M–N3 (M = Mn, Fe, Co, Ni, or Cu) co-doped graphene with moiety-patched defects

Ionics ◽

10.1007/s11581-019-03376-9 ◽

2019 ◽

Vol 26 (5) ◽

pp. 2453-2465 ◽

Cited By ~ 2

Author(s):

Qiangqiang Gao

Keyword(s):

Dft Study ◽

Doped Graphene ◽

Co Doped

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Linear & nonlinear optical properties of undoped & doped graphene nanoribbon via TD-DFT study

10.1063/5.0030597 ◽

2020 ◽

Author(s):

Mohammed L. Jabbar ◽

Kadhim J. Kadhim

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Graphene Nanoribbon ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Td Dft ◽

Doped Graphene

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Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au20 over Its Tetrahedral Conformer: A Systematic DFT Study

The Journal of Physical Chemistry C ◽

10.1021/jp506623b ◽

2014 ◽

Vol 118 (31) ◽

pp. 17890-17894 ◽

Cited By ~ 8

Author(s):

Sharma SRKC Yamijala ◽

Arkamita Bandyopadhyay ◽

Swapan K. Pati

Keyword(s):

Quantum Dots ◽

Graphene Quantum Dots ◽

Dft Study ◽

Nitrogen Doped ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Planar Conformer

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Adsorption and dissociation of H2O on Au(111) surface: A DFT study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.07.009 ◽

2013 ◽

Vol 1019 ◽

pp. 141-145 ◽

Cited By ~ 39

Author(s):

Ruiqiu Liu

Keyword(s):

Dft Study ◽

Adsorption And Dissociation

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DFT study on the adsorption of p-nitrophenol over vacancy and Pt-doped graphene sheets

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.08.020 ◽

2018 ◽

Vol 1142 ◽

pp. 88-96 ◽

Cited By ~ 17

Author(s):

Mandeep ◽

Lekha Sharma ◽

Rita Kakkar

Keyword(s):

Dft Study ◽

Graphene Sheets ◽

Doped Graphene

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Understanding active sites and mechanism of oxygen reduction reaction on FeN4–doped graphene from DFT study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.04.048 ◽

2020 ◽

Vol 45 (31) ◽

pp. 15465-15475 ◽

Cited By ~ 3

Author(s):

Ying Yang ◽

Wenjie Qi ◽

Juntian Niu ◽

Feng Chen ◽

Wenli Li

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Active Sites ◽

Reduction Reaction ◽

Dft Study ◽

Doped Graphene

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