Effect of Zn-Incorporation into Li7La3Zr2O12 Solid Electrolyte on Structural Stability and Electrical Conductivity: First- Principles Study

International Journal of Electrochemical Science ◽

10.20964/2020.11.38 ◽

2020 ◽

pp. 11123-11136

Author(s):

Xinghua Liang ◽

Keyword(s):

Electrical Conductivity ◽

Solid Electrolyte ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of high-pressure structural stability and mechanical properties of Ni2B

Computational Materials Science ◽

10.1016/j.commatsci.2021.110465 ◽

2021 ◽

Vol 194 ◽

pp. 110465

Author(s):

Menglong Wang ◽

Jialing Xie ◽

Keying Xue ◽

Lingxia Li

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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Cluster-Model-Embedded First-Principles Study on Structural Stability of Body-Centered-Cubic-Based Ti-Zr-Hf-Nb Refractory High-Entropy Alloys

Journal of Phase Equilibria and Diffusion ◽

10.1007/s11669-021-00899-5 ◽

2021 ◽

Author(s):

Junhao Yuan ◽

Yufeng Liu ◽

Zhen Li ◽

Mingkang Wang ◽

Qing Wang ◽

...

Keyword(s):

Structural Stability ◽

First Principles ◽

Cluster Model ◽

High Entropy Alloys ◽

Body Centered Cubic ◽

High Entropy ◽

First Principles Study

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First Principles Study of Structural Stability and Electronic Structure of 4d Transition Metal Carbides TMC2 (TM= Ru, Rh, Pd)

IOSR Journal of Applied Physics ◽

10.9790/4861-17002023841 ◽

2017 ◽

Vol 02 (01) ◽

pp. 38-41

Author(s):

M. Manikandan ◽

M. Santhosh ◽

A. Amudhavalli ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Structural Stability ◽

First Principles ◽

Metal Carbides ◽

Transition Metal Carbides ◽

First Principles Study

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The Structural Stability and Mechanical Properties of $$\hbox {Cu}_{2}\hbox {MnAl}$$ Cu 2 MnAl and $$\hbox {Cu}_{2}\hbox {MnIn}$$ Cu 2 MnIn Under Pressure: First-Principles Study

Journal of Electronic Materials ◽

10.1007/s11664-018-6163-3 ◽

2018 ◽

Vol 47 (5) ◽

pp. 3005-3017 ◽

Cited By ~ 1

Author(s):

Lili Liu ◽

Xianshi Zeng ◽

Qingdong Gou ◽

Yuanxiu Ye ◽

Yufeng Wen ◽

...

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of the alloying effects on the structural stability and mechanical properties of L12-Pt3Hf

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.161982 ◽

2021 ◽

pp. 161982

Author(s):

Xin Yao ◽

Yong Mao ◽

Ya-Fang Guo

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Alloying Effects

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First-principles study of Helium in austenitic Fe 6.3 at.% Cr alloys: structural, stability, energetics, and clustering with vacancies

Materials Today Communications ◽

10.1016/j.mtcomm.2021.102837 ◽

2021 ◽

pp. 102837

Author(s):

Lei Wan ◽

Xiaoqiu Ye ◽

Xingzhong Cao ◽

Shuoxue Jin ◽

Tao Gao

Keyword(s):

Structural Stability ◽

First Principles ◽

First Principles Study

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Interfacial properties and Li-ion dynamics between Li3OCl solid electrolyte and Li metal anode for all solid state Li metal batteries from first principles study

Electrochimica Acta ◽

10.1016/j.electacta.2020.135622 ◽

2020 ◽

Vol 334 ◽

pp. 135622

Author(s):

M.S. Wu ◽

B. Xu ◽

W.W. Luo ◽

B.Z. Sun ◽

C.Y. Ouyang

Keyword(s):

Solid State ◽

Solid Electrolyte ◽

First Principles ◽

Interfacial Properties ◽

Ion Dynamics ◽

Metal Anode ◽

First Principles Study ◽

Li Ion ◽

Li Metal Anode

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Structural stability, electronic structures, mechanical properties and debye temperature of W-Re alloys: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2020.112081 ◽

2021 ◽

Vol 162 ◽

pp. 112081

Author(s):

Diyou Jiang ◽

Wenbo Xiao ◽

Desheng Liu ◽

Sanqiu Liu

Keyword(s):

Mechanical Properties ◽

Debye Temperature ◽

Structural Stability ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First-principles study of structural stability, elastic and electronic properties of ternary rare earth-transition metal—Borides and carbides (RTxZ, R=Sc, Y, and La, T=Pt and Pd, Z=B and C, and x=2, 3, and 4)

Physica B Condensed Matter ◽

10.1016/j.physb.2013.08.031 ◽

2013 ◽

Vol 431 ◽

pp. 58-68 ◽

Cited By ~ 1

Author(s):

Tiankai Yao ◽

Yachun Wang ◽

Hui Li ◽

Jie Lian ◽

Jingwu Zhang ◽

...

Keyword(s):

Rare Earth ◽

Transition Metal ◽

Electronic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Metal Borides

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Role of vacancies in the structural stability ofα−TiO: A first-principles study based on density-functional calculations

Physical Review B ◽

10.1103/physrevb.72.054117 ◽

2005 ◽

Vol 72 (5) ◽

Cited By ~ 42

Author(s):

Jesús Graciani ◽

Antonio Márquez ◽

Javier Fdez. Sanz

Keyword(s):

Structural Stability ◽

First Principles ◽

Density Functional Calculations ◽

Density Functional ◽

First Principles Study

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