First-principles study of water decomposition and hydrogen evolution on MgZn2 Laves phase

2021 ◽  
Vol 196 ◽  
pp. 110532
Author(s):  
Yaowei Wang ◽  
Tian Xie ◽  
Zhe Luo ◽  
Hong Zhu ◽  
Xiaoqin Zeng
Keyword(s):  
Hydrogen Evolution ◽  
First Principles ◽  
Laves Phase ◽  
Water Decomposition ◽  
First Principles Study

Point defects and Zn-doping in defective Laves phase C15 MgCu2: A first-principles study

2016 ◽  
Vol 122 ◽  
pp. 159-166 ◽  
Author(s):  
Jie Zheng ◽  
Xiao Tian ◽  
Lin Shao ◽  
Xiong-Ze Pan ◽  
Ping-Ying Tang ◽  
...  
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Laves Phase ◽  
Zn Doping ◽  
First Principles Study

First-principles study of point defects in C14 MgZn2 Laves phase

2016 ◽  
Vol 654 ◽  
pp. 475-481 ◽  
Author(s):  
Lin Shao ◽  
Tao-Tao Shi ◽  
Jie Zheng ◽  
Hai-Chen Wang ◽  
Xiong-Ze Pan ◽  
...  
Keyword(s):  
Point Defects ◽  
First Principles ◽  
Laves Phase ◽  
First Principles Study

Role of photoexcited electrons in hydrogen evolution from platinum co-catalysts loaded on anatase TiO2: a first-principles study

2013 ◽  
Vol 1 (22) ◽  
pp. 6664 ◽  
Author(s):  
Adisak Boonchun ◽  
Naoto Umezawa ◽  
Takahisa Ohno ◽  
Shuxin Ouyang ◽  
Jinhua Ye
Keyword(s):  
Hydrogen Evolution ◽  
First Principles ◽  
Anatase Tio2 ◽  
Co Catalysts ◽  
First Principles Study

Predicting an alloying strategy for improving fracture toughness of C15 NbCr2 Laves phase: A first-principles study

2016 ◽  
Vol 123 ◽  
pp. 59-64 ◽  
Author(s):  
Qianxin Long ◽  
Jianchuan Wang ◽  
Yong Du ◽  
David Holec ◽  
Xiaowu Nie ◽  
...  
Keyword(s):  
Fracture Toughness ◽  
First Principles ◽  
Laves Phase ◽  
First Principles Study

First-principles study of electronic structure for the Laves-phase compounds HfFe2 and HfV2

2008 ◽  
Vol 448 (1-2) ◽  
pp. 53-58 ◽  
Author(s):  
Changwen Zhang ◽  
Zhong Zhang ◽  
Shaoqing Wang ◽  
Hua Li ◽  
Jianmin Dong ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Laves Phase ◽  
First Principles Study ◽  
Laves Phase Compounds

A First-Principles Study of Electronic Structure of the Laves Phase MgZn2

2013 ◽  
Vol 639 (11) ◽  
pp. 1963-1967 ◽  
Author(s):  
Dirk Andrae ◽  
Beate Paulus ◽  
Ulrich Wedig ◽  
Martin Jansen
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Laves Phase ◽  
First Principles Study

First-Principles Study of Electronic Structure of the Laves Phase ZrFe 2

2007 ◽  
Vol 24 (2) ◽  
pp. 524-526 ◽  
Author(s):  
Zhang Chang-Wen ◽  
Zhang Zhong ◽  
Wang Shao-Qing ◽  
Li Hua ◽  
Dong Jian-Min ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Laves Phase ◽  
First Principles Study
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