A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration

doi:10.1039/c6ra13491b

IMR OpenIR

	A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration
	Li, Fengyu 1; Cabrera, Carlos R.1; Wang, Jingyang 2; Chen, Zhongfang 1
通讯作者	Chen, Zhongfang(zhongfangchen@gmail.com)
	2016
发表期刊	RSC ADVANCES
ISSN	2046-2069
卷号	6 期号:85 页码:81591-81596
摘要	By means of density functional theory (DFT) computations, we investigated the potential of oxygen-terminated Cr2C (Cr2CO2) as a cathode material for lithium and non-lithium ion batteries (LIBs and NLIBs). Our computations revealed that the Cr2CO2 exhibits the extraordinary characteristics that the LIB and NLIB electrodes require, including good electronic conductivity, high binding energy, a moderate diffusion barrier and high storage capacity. In particular, the high operating voltage (>2 V) of Cr2CO2 endows itself as a promising cathode material for Li, Na and Ca ion batteries.
资助者	Department of Defense ; NSF
DOI	10.1039/c6ra13491b
收录类别	SCI
语种	英语
资助项目	Department of Defense[W911NF-15-1-0650] ; NSF[EPS-1002410]
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000382776000017
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：31[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/321006/122628
专题	中国科学院金属研究所
通讯作者	Chen, Zhongfang
作者单位	1.Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, Rio Piedras Campus, Rio Piedras, PR 00931 USA 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li, Fengyu,Cabrera, Carlos R.,Wang, Jingyang,et al. A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration[J]. RSC ADVANCES,2016,6(85):81591-81596.
APA	Li, Fengyu,Cabrera, Carlos R.,Wang, Jingyang,&Chen, Zhongfang.(2016).A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration.RSC ADVANCES,6(85),81591-81596.
MLA	Li, Fengyu,et al."A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration".RSC ADVANCES 6.85(2016):81591-81596.