Interfacial properties and fracture behavior of the L12-Al3Sc||Al interface: Insights from a first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2020.146017 ◽

2020 ◽

Vol 515 ◽

pp. 146017 ◽

Cited By ~ 4

Author(s):

Xieyi Zhang ◽

Xianwei Ren ◽

Hao Li ◽

Yongxing Zhao ◽

Yuanchun Huang ◽

...

Keyword(s):

First Principles ◽

Fracture Behavior ◽

Interfacial Properties ◽

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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Interfacial properties of NM/CeO2(111) (NM = noble metal atoms or clusters of Pd, Pt and Rh): a first principles study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/22/47/475003 ◽

2010 ◽

Vol 22 (47) ◽

pp. 475003 ◽

Cited By ~ 22

Author(s):

Zhansheng Lu ◽

Zongxian Yang

Keyword(s):

Noble Metal ◽

First Principles ◽

Interfacial Properties ◽

First Principles Study ◽

Metal Atoms

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A first-principles study on interfacial properties of Ni(001)/Ni3Nb(001)

Transactions of Nonferrous Metals Society of China ◽

10.1016/s1003-6326(14)63218-0 ◽

2014 ◽

Vol 24 (5) ◽

pp. 1500-1505 ◽

Cited By ~ 7

Author(s):

Zhi-qin WEN ◽

Yu-hong ZHAO ◽

Hua HOU ◽

Nan WANG ◽

Li FU ◽

...

Keyword(s):

First Principles ◽

Interfacial Properties ◽

First Principles Study

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First-principles study of the Al(001)/Al3Ti(001) interfacial properties

Computational Materials Science ◽

10.1016/j.commatsci.2012.05.013 ◽

2012 ◽

Vol 62 ◽

pp. 136-141 ◽

Cited By ~ 18

Author(s):

J. Li ◽

Y.Q. Yang ◽

X. Luo

Keyword(s):

First Principles ◽

Interfacial Properties ◽

First Principles Study

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First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The implications for NM growing

Applied Surface Science ◽

10.1016/j.apsusc.2015.10.219 ◽

2016 ◽

Vol 360 ◽

pp. 1-7 ◽

Cited By ~ 61

Author(s):

Zhansheng Lu ◽

Shuo Li ◽

Peng Lv ◽

Chaozheng He ◽

Dongwei Ma ◽

...

Keyword(s):

First Principles ◽

Interfacial Properties ◽

First Principles Study

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First-principles study of the Al(001)-Al3Nb(001) interfacial properties

Surface Science ◽

10.1016/j.susc.2016.12.001 ◽

2017 ◽

Vol 657 ◽

pp. 104-110 ◽

Cited By ~ 9

Author(s):

Yanhong Ding ◽

Rui Xu

Keyword(s):

First Principles ◽

Interfacial Properties ◽

First Principles Study

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First-principles calculations on interfacial properties and fracture behavior of the Mg(11¯01)||TiC(11¯1) interfaces

Materials Today Communications ◽

10.1016/j.mtcomm.2021.102399 ◽

2021 ◽

pp. 102399

Author(s):

Jiawei Hu ◽

Zhengbing Xiao ◽

Qiang Wang ◽

Zhenyu Shen ◽

Xiangyue Li ◽

...

Keyword(s):

First Principles ◽

Fracture Behavior ◽

Interfacial Properties ◽

First Principles Calculations

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The interfacial properties of SrRuO3/MoS2 heterojunction: a first-principles study

The European Physical Journal B ◽

10.1140/epjb/e2016-60584-x ◽

2016 ◽

Vol 89 (3) ◽

Cited By ~ 35

Author(s):

Biao Liu ◽

Li-Juan Wu ◽

Yu-Qing Zhao ◽

Ling-Zhi Wang ◽

Meng-Qiu Cai

Keyword(s):

First Principles ◽

Interfacial Properties ◽

First Principles Study

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The electronic structures of group-V–group-IV hetero-bilayer structures: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c5cp04815j ◽

2015 ◽

Vol 17 (41) ◽

pp. 27769-27776 ◽

Cited By ~ 34

Author(s):

Yanli Wang ◽

Yi Ding

Keyword(s):

First Principles ◽

Electronic Structures ◽

Van Der Waals ◽

Interfacial Properties ◽

Group Iv ◽

Group V ◽

First Principles Study

Van der Waals hetero-bilayer structures can be constructed from group-V and group-IV nanosheets, which exhibit tunable electronic and interfacial properties.

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Effects of Ti, Si, Mg and Cu additions on interfacial properties and electronic structure of Al(111)/4H-SiC(0001) interface: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2017.12.103 ◽

2018 ◽

Vol 437 ◽

pp. 103-109 ◽

Cited By ~ 26

Author(s):

Xin-Yu Xu ◽

Hui-Yuan Wang ◽

Min Zha ◽

Cheng Wang ◽

Zhi-Zheng Yang ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

Interfacial Properties ◽

First Principles Study

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