First-principles investigation of a beta-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries

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	First-principles investigation of a beta-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries
	Zhang RH(张仁辉)1 ; Zhao, Juan 1; Guo, Lei 1; Qin, Hangdao 1; Shi, Wei 1; Lu ZB(鲁志斌)2
刊名	RSC Advances
	2017
卷号	7 期号:47 页码:29821-29826
ISSN号	2046-2069
通讯作者	张仁辉
英文摘要	In this investigation, we studied the effect of the synergistic mechanism on the stability and the electronic and Li diffusion performance of a β-MnO₂ and graphene composite. The C–O covalent bonds formed in the stable interface not only improved the hybrid structure stability (a stable C–O bond forms between the β-MnO₂ (110) plane and graphene) but also led to enhanced conductivity. The calculated results implied that a possible diffusion pathway with the lowest energy barrier was found along the hybrid structure interface.
学科主题	材料科学与物理化学
收录类别	SCI
资助信息	the Foundation of Department of Education of Guizhou province (Grant no. KY [2016] 009)
语种	英语
WOS记录号	WOS:000403320500064
内容类型	期刊论文
源URL	[http://210.77.64.217/handle/362003/22039]
专题	兰州化学物理研究所_固体润滑国家重点实验室
作者单位	1.Tongren Univ, Sch Mat & Chem Engn, Res Ctr Mat & Chem Engn, Tongren 554300, Peoples R China 2.Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Zhang RH,Zhao, Juan,Guo, Lei,et al. First-principles investigation of a beta-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries[J]. RSC Advances,2017,7(47):29821-29826.
APA	Zhang RH,Zhao, Juan,Guo, Lei,Qin, Hangdao,Shi, Wei,&Lu ZB.(2017).First-principles investigation of a beta-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries.RSC Advances,7(47),29821-29826.
MLA	Zhang RH,et al."First-principles investigation of a beta-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries".RSC Advances 7.47(2017):29821-29826.