First-principles study of hydrogen behavior in vanadium-based binary alloy membranes for hydrogen separation

Yanli Lu; Manman Gou; Ruimin Bai; Yixin Zhang; Zheng Chen

doi:10.1016/j.ijhydene.2017.07.056

First-principles study of hydrogen behavior in vanadium-based binary alloy membranes for hydrogen separation

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2017.07.056 ◽

2017 ◽

Vol 42 (36) ◽

pp. 22925-22932 ◽

Cited By ~ 10

Author(s):

Yanli Lu ◽

Manman Gou ◽

Ruimin Bai ◽

Yixin Zhang ◽

Zheng Chen

Keyword(s):

Binary Alloy ◽

First Principles ◽

Hydrogen Separation ◽

First Principles Study

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First-Principles Study on Structure and Elastic Properties of Fe-X (X = Si, Cr, Mn, Ni) Binary Alloy

Material Sciences ◽

10.12677/ms.2017.76080 ◽

2017 ◽

Vol 07 (06) ◽

pp. 609-614

Author(s):

文婷刘

Keyword(s):

Elastic Properties ◽

Binary Alloy ◽

First Principles ◽

First Principles Study

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First-principles study of interstitial diffusion of oxygen in nickel chromium binary alloy

Applied Physics Letters ◽

10.1063/1.3696079 ◽

2012 ◽

Vol 100 (13) ◽

pp. 131904 ◽

Cited By ~ 14

Author(s):

Jong Jin Kim ◽

Sang Hun Shin ◽

Ju Ang Jung ◽

Kyung Joon Choi ◽

Ji Hyun Kim

Keyword(s):

Binary Alloy ◽

First Principles ◽

Interstitial Diffusion ◽

First Principles Study ◽

Nickel Chromium

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Rational design of Nb-based alloys for hydrogen separation: A first principles study

AIP Advances ◽

10.1063/1.4790627 ◽

2013 ◽

Vol 3 (2) ◽

pp. 022102

Author(s):

Byungki Ryu ◽

Hyeon Cheol Park ◽

Eunseog Cho ◽

Kwanghee Kim ◽

Jaeho Lee ◽

...

Keyword(s):

First Principles ◽

Rational Design ◽

Hydrogen Separation ◽

First Principles Study

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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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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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External uniaxial compressive strain induced built-in electric field in bilayer two-dimensional As2S3 for photocatalytic water splitting: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147701 ◽

2021 ◽

Vol 535 ◽

pp. 147701 ◽

Cited By ~ 1

Author(s):

Xuefei Liu ◽

Bing Lv ◽

Zhao Ding ◽

Zijiang Luo

Keyword(s):

Electric Field ◽

Water Splitting ◽

First Principles ◽

Compressive Strain ◽

Two Dimensional ◽

Photocatalytic Water Splitting ◽

First Principles Study

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