Monolayer, Bilayer, and Heterostructure Arsenene as Potential Anode Materials for Magnesium-Ion Batteries: A First-Principles Study

2019 ◽  
Vol 123 (25) ◽  
pp. 15777-15786 ◽  
Author(s):  
Xiao-Juan Ye ◽  
Gui-Lin Zhu ◽  
Jin Liu ◽  
Chun-Sheng Liu ◽  
Xiao-Hong Yan
Keyword(s):  
First Principles ◽  
Anode Materials ◽  
Magnesium Ion ◽  
First Principles Study ◽  
Magnesium Ion Batteries

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

First principles study of P-doped borophene as anode materials for lithium ion batteries

2018 ◽  
Vol 427 ◽  
pp. 198-205 ◽  
Author(s):  
Hui Chen ◽  
Wei Zhang ◽  
Xian-Qiong Tang ◽  
Yan-Huai Ding ◽  
Jiu-Ren Yin ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
First Principles ◽  
Anode Materials ◽  
Lithium Ion ◽  
First Principles Study

First-principles study of monolayer SnS2(1−x)Se2x alloys as anode materials for lithium ion batteries

2018 ◽  
Vol 457 ◽  
pp. 256-263 ◽  
Author(s):  
Tianxing Wang ◽  
Lizhi Yin ◽  
Rumeng Zhao ◽  
Congxin Xia ◽  
Xu Zhao ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
First Principles ◽  
Anode Materials ◽  
Lithium Ion ◽  
First Principles Study

A First-Principles Study of MBene as Anode Material for Mg-Ion Battery

2020 ◽  
Vol 17 (4) ◽  
Author(s):  
Runqing Li ◽  
Yufei Liu ◽  
Huiqiu Deng ◽  
Chuying Yu ◽  
Zhixiao Liu
Keyword(s):  
Anode Material ◽  
First Principles ◽  
Anode Materials ◽  
Open Circuit Potential ◽  
Storage Capacity ◽  
Open Circuit ◽  
Magnesium Ion ◽  
Diffusion Kinetics ◽  
Metal Borides ◽  
Simulation Results

Abstract Developing novel nanostructured anode materials for Mg storage plays an important role in improving the performance of magnesium-ion (Mg-ion) batteries. Two-dimensional (2D) metal borides (MBenes) are evaluated as potential anode materials in the present study. Simulation results demonstrate that Cr2B2 is a competitive anode material, which can deliver a maximum theoretical capacity of 853.4 mAh/g with an average open-circuit potential of 0.53 eV versus Mg2+/Mg. In addition, Cr2B2 as anode also can exhibit superior diffusion kinetics due to a low energy barrier of 0.38 eV. Comparing with Cr2B2, Mo2B2 exhibits less but still high Mg storage capacity, with a maximum capacity of 502.1 mAh/g. In addition, Mg diffusion barrier on Mo2B2 is 0.84 eV and the average open-circuit potential is 0.67 V versus Mg2+/Mg, both of which are still comparable to the reported anode materials for Mg-ion batteries.

Recent developments on anode materials for magnesium-ion batteries: a review

Rare Metals ◽  
2020 ◽  
Author(s):  
Qi Guo ◽  
Wen Zeng ◽  
Shi-Lin Liu ◽  
Yan-Qiong Li ◽  
Jun-Yao Xu ◽  
...  
Keyword(s):  
Anode Materials ◽  
Magnesium Ion ◽  
Recent Developments ◽  
Magnesium Ion Batteries
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