Vacancy trapping behaviors of hydrogen in Ti3SiC2: A first-principles study

Materials Letters ◽

10.1016/j.matlet.2013.11.016 ◽

2014 ◽

Vol 116 ◽

pp. 322-327 ◽

Author(s):

Yi-Guo Xu ◽

Xue-Dong Ou ◽

Xi-Ming Rong

Keyword(s):

First Principles ◽

First Principles Study ◽

Vacancy Trapping

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Vacancy trapping behaviors of oxygen in tungsten: A first-principles study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2013.01.317 ◽

2013 ◽

Vol 437 (1-3) ◽

pp. 6-10 ◽

Author(s):

Abdullah Alkhamees ◽

Hong-Bo Zhou ◽

Yue-Lin Liu ◽

Shuo Jin ◽

Ying Zhang ◽

...

Keyword(s):

First Principles ◽

First Principles Study ◽

Vacancy Trapping

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Vacancy trapping meachanism of multiple hydrogen/helium atoms in fcc-Fe: A first-principles study

IOP Conference Series Earth and Environmental Science ◽

10.1088/1755-1315/461/1/012007 ◽

2020 ◽

Vol 461 ◽

pp. 012007

Author(s):

Sen Zhao ◽

Bin He ◽

Fei Wang ◽

Rusong Li ◽

Libo Niu ◽

...

Keyword(s):

First Principles ◽

Helium Atoms ◽

First Principles Study ◽

Vacancy Trapping

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Vacancy trapping mechanism for multiple hydrogen and helium in beryllium: a first-principles study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/9/095004 ◽

2012 ◽

Vol 24 (9) ◽

pp. 095004 ◽

Author(s):

Pengbo Zhang ◽

Jijun Zhao ◽

Bin Wen

Keyword(s):

First Principles ◽

Trapping Mechanism ◽

First Principles Study ◽

Vacancy Trapping

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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 ◽

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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 ◽

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 ◽

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 ◽

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 ◽

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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