A novel 2D VC<sub>4</sub> as a promising Na-host material for Na-ion batteries: computational insights

doi:10.1039/d3ta06579k

IMR OpenIR

	A novel 2D VC₄ as a promising Na-host material for Na-ion batteries: computational insights
	Rehman, Javed 4; Gao, Jiayu 1,2; Yu, Tong 3; El-marghany, Adel 5; Yang, Guochun 1,2
通讯作者	Yu, Tong(tyu@imr.ac.cn) ; Yang, Guochun(anggc468@nenu.edu.cn)
	2024-03-12
发表期刊	JOURNAL OF MATERIALS CHEMISTRY A
ISSN	2050-7488
卷号	12 期号:11 页码:6703-6711
摘要	The rapid growth of technologies has influenced our daily lives to build efficient energy storage systems for various electric vehicles and portable electronic devices. The abundant reserves, low cost, and low toxicity of sodium-ion batteries (SIBs) make them one of the most promising next-generation energy storage technologies. However, limited anode materials hinder their further development. Here, we predict a 2D VC4 monolayer as the Na host material for SIBs. Based on our theoretical analysis, it is stable dynamically as well as thermally. As a Na host material, the VC4 anode is found to have a low open-circuit voltage (0.51 V) and a high Na storage capacity of 1353 mA h g(-1). Also, the Bader charge technique reveals charge transfer from Na to VC4 and thus verifies the electrochemical reaction between Na and the host. Eventually, we inspect the low activation barrier for Na migration on VC4 (0.32 eV), revealing rapid charging/discharging rates. These fascinating results of the current study provide a theoretical and technical basis for the advancement of SIBs.
资助者	National Natural Science Foundation of China ; National Natural Science Foundation of China ; Foreign Expert Introduction Program ; China Postdoctoral Science Foundation ; China National Postdoctoral Program for Innovative Talents ; Yanshan University, Qinhuangdao, China ; King Saud University, Riyadh, Saudi Arabia
DOI	10.1039/d3ta06579k
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[22372142] ; National Natural Science Foundation of China[52203364] ; National Natural Science Foundation of China[52350410474] ; National Natural Science Foundation of China[G2023003004L] ; Foreign Expert Introduction Program[2022M713214] ; China Postdoctoral Science Foundation[BX2021321] ; China National Postdoctoral Program for Innovative Talents[RSPD2024R667] ; Yanshan University, Qinhuangdao, China ; King Saud University, Riyadh, Saudi Arabia
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science
WOS类目	Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary
WOS记录号	WOS:001174789700001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：15[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/184395
专题	中国科学院金属研究所
通讯作者	Yu, Tong; Yang, Guochun
作者单位	1.Yanshan Univ, Sch Sci, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China 2.Yanshan Univ, Sch Sci, Key Lab Microstruct Mat Phys Hebei Prov, Qinhuangdao 066004, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 4.Yanshan Univ, Sch Mat Sci & Engn, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China 5.King Saud Univ, Coll Sci, Dept Chem, POB 2455, Riyadh 11451, Saudi Arabia
推荐引用方式 GB/T 7714	Rehman, Javed,Gao, Jiayu,Yu, Tong,et al. A novel 2D VC₄ as a promising Na-host material for Na-ion batteries: computational insights[J]. JOURNAL OF MATERIALS CHEMISTRY A,2024,12(11):6703-6711.
APA	Rehman, Javed,Gao, Jiayu,Yu, Tong,El-marghany, Adel,&Yang, Guochun.(2024).A novel 2D VC₄ as a promising Na-host material for Na-ion batteries: computational insights.JOURNAL OF MATERIALS CHEMISTRY A,12(11),6703-6711.
MLA	Rehman, Javed,et al."A novel 2D VC₄ as a promising Na-host material for Na-ion batteries: computational insights".JOURNAL OF MATERIALS CHEMISTRY A 12.11(2024):6703-6711.