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Yan Liu ◽  
Zhen Pei ◽  
Qiang Zhang ◽  
Yang Ge ◽  
Riguang Zhang ◽  
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Keyword(s):  
Experimental Study ◽  
Electronic Properties ◽  
First Principles

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
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Author(s):  
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Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
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Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

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Wei-Hong Liu ◽  
Wei Zeng ◽  
Fu-Sheng Liu ◽  
Bin Tang ◽  
Qi-Jun Liu ◽  
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Geometric, electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters: A first-principles study

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Wei-Feng Xie ◽  
Hao-Ran Zhu ◽  
Shi-Hao Wei
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Density Functional Theory ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Inverse Design ◽  
Functional Theory ◽  
First Principles Study

The structural evolutions and electronic properties of Au$_l$Pt$_m$ ($l$+$m$$\leqslant$10) clusters are investigated by using the first$-$principles methods based on density functional theory (DFT). We use Inverse design of materials by...

scholarly journals Edge-Propagation Discharge Mechanism in CFx Batteries—A First-Principles and Experimental Study

2021 ◽  
Author(s):  
Kevin Leung ◽  
Noah B. Schorr ◽  
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Timothy N. Lambert ◽  
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Keyword(s):  
Experimental Study ◽  
First Principles ◽  
Discharge Mechanism
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