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Two-dimensional SiN3 as an auspicious divalent host for Mg/Ca-ion batteries

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成果类型:
期刊论文
作者:
Peng, Qiong;Rehman, Javed;Butt, Mehwish Khalid;Tao, Lin;Younis, Umer;...
通讯作者:
Rehman, J;Li, ZP
作者机构:
[Peng, Qiong] Hengyang Normal Univ, Inst Condensed Phys, Key Lab Micronano Energy Mat & Applicat Technol, Hengyang 421002, Peoples R China.
[Peng, Qiong] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.
[Rehman, Javed] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China.
[Rehman, Javed] Yanshan Univ, Sch Mat Sci & Engn, Qinhuangdao 066004, Peoples R China.
[Li, Zhipeng; Li, ZP; Butt, Mehwish Khalid] Northwestern Polytech Univ, Xian Inst Flexible Elect, Frontiers Sci Ctr Flexible Elect, 127 West Youyi Rd, Xian 710072, Peoples R China.
通讯机构:
[Li, ZP ] N
[Rehman, J ] Y
Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China.
Yanshan Univ, Sch Mat Sci & Engn, Qinhuangdao 066004, Peoples R China.
Northwestern Polytech Univ, Xian Inst Flexible Elect, Frontiers Sci Ctr Flexible Elect, 127 West Youyi Rd, Xian 710072, Peoples R China.
语种:
英文
关键词:
2D anode;Mg-ion battery;Ca-ion battery;Barrier energy;Storage capacity
期刊:
Materials Today Chemistry
ISSN:
2468-5194
年:
2025
卷:
43
页码:
102465
基金类别:
National Natural Science Foundation of China [52350410474]; Yanshan University, Qinhuangdao, China [RSPD2024R667]; King Saud University, Riyadh, Saudi Arabia
机构署名:
本校为第一机构
院系归属:
物理与电子工程学院
摘要:
The growing demand for sustainable and efficient energy storage solutions has spurred an intensified quest for alternatives to lithium-ion batteries. Mg/Ca-ion batteries are emerging as promising substitutes due to their abundant natural sources and cost-effectiveness. However, the substantial polarization of Mg and Ca ions presents significant challenges for conventional hosts. In this study, we shed light on the anodic applications of two-dimensional (2D) SiN3 for Mg and Ca ions batteries employing density functional theory, combined with ab-initio molecular dynamics and the nudged elastic b...

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