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A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration
Li, Fengyu1; Cabrera, Carlos R.1; Wang, Jingyang2; Chen, Zhongfang1
Corresponding AuthorChen, Zhongfang(zhongfangchen@gmail.com)
2016
Source PublicationRSC ADVANCES
ISSN2046-2069
Volume6Issue:85Pages:81591-81596
AbstractBy 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.
Funding OrganizationDepartment of Defense ; NSF
DOI10.1039/c6ra13491b
Indexed BySCI
Language英语
Funding ProjectDepartment of Defense[W911NF-15-1-0650] ; NSF[EPS-1002410]
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000382776000017
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:22[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/122628
Collection中国科学院金属研究所
Corresponding AuthorChen, Zhongfang
Affiliation1.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
Recommended Citation
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.
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