First-principles study of the hydrogen adsorption and diffusion on ordered Ni3Fe(111) surface and in the bulk

Intermetallics ◽

10.1016/j.intermet.2013.08.008 ◽

2014 ◽

Vol 44 ◽

pp. 64-72 ◽

Cited By ~ 4

Author(s):

Juan Li ◽

Yao-Ping Xie ◽

Ye-Xin Chen ◽

Bao-wu Wang ◽

Shi-Jin Zhao

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

And Diffusion

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Hydrogen adsorption, dissociation, and diffusion on high-index Mg(101¯3) and their comparisons with Mg(0001): A systematic first-principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2019.01.012 ◽

2019 ◽

Vol 44 (10) ◽

pp. 4897-4906 ◽

Cited By ~ 5

Author(s):

Jia-Hui Ye ◽

Yu-Jun Zhao ◽

Yan-Xiong Fang ◽

Huai-Jun Lin ◽

Lei Bai ◽

...

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

High Index ◽

First Principles Study ◽

And Diffusion

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Hydrogen adsorption on and diffusion through MoS2 monolayer: First-principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2012.07.069 ◽

2012 ◽

Vol 37 (19) ◽

pp. 14323-14328 ◽

Cited By ~ 77

Author(s):

Eugene Wai Keong Koh ◽

Cheng Hsin Chiu ◽

Yao Kun Lim ◽

Yong-Wei Zhang ◽

Hui Pan

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Mos2 Monolayer ◽

And Diffusion

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First-principles study of lattice dynamics and diffusion inDO3-typeFe3Si

Physical Review B ◽

10.1103/physrevb.73.174303 ◽

2006 ◽

Vol 73 (17) ◽

Cited By ~ 29

Author(s):

S. Dennler ◽

J. Hafner

Keyword(s):

First Principles ◽

Lattice Dynamics ◽

First Principles Study ◽

And Diffusion

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First-principles study of hydrogen adsorption in metal-doped COF-10

The Journal of Chemical Physics ◽

10.1063/1.3503654 ◽

2010 ◽

Vol 133 (15) ◽

pp. 154706 ◽

Cited By ~ 21

Author(s):

Miao Miao Wu ◽

Qian Wang ◽

Qiang Sun ◽

Puru Jena ◽

Yoshiyuki Kawazoe

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Metal Doped

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Formation and diffusion of intrinsic point defects in bulk and monolayer MoS 2 : first principles study

physica status solidi (b) ◽

10.1002/pssb.202100479 ◽

2021 ◽

Author(s):

Vasilii Gusakov ◽

Julia Gusakova ◽

Beng Kang Tay

Keyword(s):

Point Defects ◽

First Principles ◽

Intrinsic Point Defects ◽

First Principles Study ◽

And Diffusion

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Ionization and diffusion of metal atoms under electric field at metal/insulator interfaces; First-principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2016.09.010 ◽

2017 ◽

Vol 70 ◽

pp. 78-82 ◽

Cited By ~ 2

Author(s):

Yoshihiro Asayama ◽

Masaaki Hiyama ◽

Takashi Nakayama

Keyword(s):

Electric Field ◽

First Principles ◽

Metal Insulator ◽

First Principles Study ◽

Metal Atoms ◽

And Diffusion

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Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.7b13604 ◽

2018 ◽

Vol 10 (6) ◽

pp. 5373-5384 ◽

Cited By ~ 47

Author(s):

Sankha Mukherjee ◽

Avinav Banwait ◽

Sean Grixti ◽

Nikhil Koratkar ◽

Chandra Veer Singh

Keyword(s):

First Principles ◽

First Principles Study ◽

And Diffusion

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REGULAR ARTICLE: Nitrogen and Hydrogen Adsorption on the Pyrite FeS2 (100) surface: First-Principles Study

Communications in Computational Chemistry ◽

10.4208/cicc.2017.v5.n3.3 ◽

2017 ◽

Vol 5 (3) ◽

pp. 78-85

Author(s):

Xiaolong Hu

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Hydrogen adsorption on L12-Al3X(X = Zr, Sc) surface and its diffusion in the bulk: A first-principles study

Vacuum ◽

10.1016/j.vacuum.2020.109680 ◽

2020 ◽

Vol 182 ◽

pp. 109680

Author(s):

Yu Liu ◽

XieYi Zhang ◽

Zheng-Bing Xiao ◽

YuanChun Huang

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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First-principles study of Ni adatom migration on graphene with vacancies

RSC Advances ◽

10.1039/c9ra00999j ◽

2019 ◽

Vol 9 (33) ◽

pp. 18823-18834

Author(s):

E. E. Hernández-Vázquez ◽

F. Munoz ◽

S. López-Moreno ◽

J. L. Morán-López

Keyword(s):

First Principles ◽

First Principles Calculations ◽

P Adsorption ◽

First Principles Study ◽

And Diffusion

Adsorption and diffusion of Ni atom over graphene with a vacancy were studied using first-principles calculations.

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