First-Principles Investigation of Magnesium Ion Adsorptions and Diffusions on 1H-Monolayer MoS2 for Energy Storages

2017 ◽  
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Minglin Li
Keyword(s):  
First Principles ◽  
Magnesium Ion ◽  
Monolayer Mos2

Photogalvanic effect in chromium-doped monolayer MoS2 from first principles

2021 ◽  
Vol 128 ◽  
pp. 114577
Author(s):  
Ping-Ping Liu ◽  
Zhi-Gang Shao ◽  
Wen-Ming Luo ◽  
Mou Yang
Keyword(s):  
First Principles ◽  
Monolayer Mos2 ◽  
Photogalvanic Effect

First-principles prediction of layered MoO2 and MoOSe as promising cathode materials for magnesium ion batteries

2021 ◽  
Vol 32 (49) ◽  
pp. 495405
Author(s):  
Jingdong Yang ◽  
Jinxing Wang ◽  
Xiao Wang ◽  
Xiaoyang Dong ◽  
Ling Zhu ◽  
...  
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Magnesium Ion ◽  
Magnesium Ion Batteries

Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

2016 ◽  
Vol 371 ◽  
pp. 180-188 ◽  
Author(s):  
Dongwei Ma ◽  
Weiwei Ju ◽  
Tingxian Li ◽  
Gui Yang ◽  
Chaozheng He ◽  
...  
Keyword(s):  
First Principles ◽  
Monolayer Mos2 ◽  
First Principles Study ◽  
Molecule Adsorption ◽  
Formaldehyde Molecule

Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

2019 ◽  
Vol 468 ◽  
pp. 94-99 ◽  
Author(s):  
Yafei Zhao ◽  
Yizhe Sun ◽  
Xiaoying Hu ◽  
Jian Tu ◽  
Qinwu Gao ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
First Principles ◽  
Monolayer Mos2 ◽  
Co Doping ◽  
First Principles Study

Band structure engineering of monolayer MoS2 on h-BN: first-principles calculations

2014 ◽  
Vol 47 (7) ◽  
pp. 075301 ◽  
Author(s):  
Zongyu Huang ◽  
Chaoyu He ◽  
Xiang Qi ◽  
Hong Yang ◽  
Wenliang Liu ◽  
...  
Keyword(s):  
Band Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Monolayer Mos2 ◽  
Structure Engineering
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