First principles study of the permeability of graphene to hydrogen atoms

Meng Miao; Marco Buongiorno Nardelli; Qi Wang; Yingchun Liu

doi:10.1039/c3cp52318g

First principles study of the permeability of graphene to hydrogen atoms

Physical Chemistry Chemical Physics ◽

10.1039/c3cp52318g ◽

2013 ◽

Vol 15 (38) ◽

pp. 16132 ◽

Cited By ~ 68

Author(s):

Meng Miao ◽

Marco Buongiorno Nardelli ◽

Qi Wang ◽

Yingchun Liu

Keyword(s):

First Principles ◽

Hydrogen Atoms ◽

First Principles Study

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First-principles study of the micro-arrangement of hydrogen atoms and electronic properties of LaNi5Hx (x: 0.5–7)

Physica B Condensed Matter ◽

10.1016/j.physb.2007.12.019 ◽

2008 ◽

Vol 403 (13-16) ◽

pp. 2372-2382 ◽

Cited By ~ 22

Author(s):

Chuanyu Zhang ◽

Tao Gao ◽

Xinhua Qi ◽

Yunguang Zhang ◽

Lijuan Tang ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Hydrogen Atoms ◽

First Principles Study

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First principles study on desorption of chemisorbed hydrogen atoms from single-walled carbon nanotubes under external electric field

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2011.08.015 ◽

2011 ◽

Vol 36 (21) ◽

pp. 13645-13656 ◽

Cited By ~ 9

Author(s):

V.J. Surya ◽

K. Iyakutti ◽

H. Mizuseki ◽

Y. Kawazoe

Keyword(s):

Carbon Nanotubes ◽

Electric Field ◽

External Electric Field ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Hydrogen Atoms ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Trapping of multiple hydrogen atoms in a vanadium monovacancy: A first-principles study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2012.06.018 ◽

2012 ◽

Vol 429 (1-3) ◽

pp. 216-220 ◽

Cited By ~ 22

Author(s):

Pengbo Zhang ◽

Jijun Zhao ◽

Bin Wen

Keyword(s):

First Principles ◽

Hydrogen Atoms ◽

First Principles Study

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First principles study of the behavior of hydrogen atoms in a W monovacancy

Journal of Materials Science ◽

10.1007/s10853-015-9464-4 ◽

2015 ◽

Vol 51 (3) ◽

pp. 1445-1455 ◽

Cited By ~ 10

Author(s):

C. Guerrero ◽

C. González ◽

R. Iglesias ◽

J. M. Perlado ◽

R. González-Arrabal

Keyword(s):

First Principles ◽

Hydrogen Atoms ◽

First Principles Study

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The effect of hydrogen atoms on the screw dislocation mobility in bcc iron: A first-principles study

Acta Materialia ◽

10.1016/j.actamat.2013.07.064 ◽

2013 ◽

Vol 61 (18) ◽

pp. 6857-6867 ◽

Cited By ~ 66

Author(s):

M. Itakura ◽

H. Kaburaki ◽

M. Yamaguchi ◽

T. Okita

Keyword(s):

Screw Dislocation ◽

First Principles ◽

Dislocation Mobility ◽

Hydrogen Atoms ◽

First Principles Study ◽

Bcc Iron

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Stability of hydrogenated graphene: a first-principles study

RSC Advances ◽

10.1039/c5ra00004a ◽

2015 ◽

Vol 5 (26) ◽

pp. 20617-20622 ◽

Cited By ~ 19

Author(s):

Ding Yi ◽

Liu Yang ◽

Shijie Xie ◽

Avadh Saxena

Keyword(s):

First Principles ◽

Hydrogen Atoms ◽

First Principles Study ◽

Hydrogenated Graphene

Hydrogenated graphene becomes more stable when hydrogen atoms are adsorbed on graphene from both sides due to the increased carbon–carbon sp3 hybridization.

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Facile abstraction of hydrogen atoms from graphane, diamond, and amorphous carbon surfaces: A first-principles study

Physical Review B ◽

10.1103/physrevb.82.085418 ◽

2010 ◽

Vol 82 (8) ◽

Cited By ~ 4

Author(s):

Bhavin N. Jariwala ◽

Cristian V. Ciobanu ◽

Sumit Agarwal

Keyword(s):

Amorphous Carbon ◽

First Principles ◽

Hydrogen Atoms ◽

First Principles Study ◽

Carbon Surfaces

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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