Experimental and Theoretical Investigation of the Effect of Oxygen Vacancies on the Electronic Structure and Pseudocapacitance of MnO2

doi:10.1002/cssc.201901015

	Experimental and Theoretical Investigation of the Effect of Oxygen Vacancies on the Electronic Structure and Pseudocapacitance of MnO2
	Yan, Lijin 1,2; Shen, Cheng 1,2; Niu, Lengyuan 1,2; Liu, Mao-cheng 3,4; Lin, Jianhua 1,2; Chen, Taiqiang 1,2; Gong, Yinyan 1,2; Li, Can 1,2; Liu, Xinjuan 1,2; Xu, Shiqing 1,2
刊名	CHEMSUSCHEM
	2019-08-08
卷号	12 期号:15 页码:3571-3581
关键词	density functional calculations electrochemistry manganese oxygen vacancies supercapacitors
ISSN号	1864-5631
DOI	10.1002/cssc.201901015
英文摘要	Defect engineering is an effective way to modulate the intrinsic physicochemical properties of materials. In this work, delta-MnO2 with oxygen vacancies is fabricated by a simple oxidation or reduction process, and the relationship between the electronic structure and pseudocapacitance is systematically studied through experimental analysis and theoretical calculations. The peaks in the Raman spectra of the as-prepared samples are shifted compared with those of pure MnO2 and the Mn3+/Mn4+ ratio and O species content also change after the introduction of oxygen vacancies. The optimized samples exhibit a better specific capacitance of 207 F g(-1) after the oxidation process and 181.4 F g(-1) after the reduction treatment compared with only 143.9 F g(-1) for the pure MnO2. The samples obtained through the oxidation or reduction process also retain 93.3 or 86.4 % of the initial capacity after 5000 cycles. The excellent properties are attributed to the enhanced conductivity and increased surface reactivity or electrochemically active sites. Theoretical calculations demonstrate that the presence of oxygen vacancies leads to an increase in the density of states, which improves the redox reaction of MnO2. This study will provide a reference for exploring and designing highperformance pseudocapacitive materials.
资助项目	Zhejiang Provincial Natural Science Foundation of China[LY19E020006] ; Zhejiang Provincial Natural Science Foundation of China[LQ18E030005] ; Zhejiang Provincial Natural Science Foundation of China[LY18E020007] ; Zhejiang Provincial Natural Science Foundation of China[LY18E060005]
WOS研究方向	Chemistry ; Science & Technology - Other Topics
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000479276700018
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/31649]
专题	材料科学与工程学院省部共建有色金属先进加工与再利用国家重点实验室
通讯作者	Niu, Lengyuan; Xu, Shiqing
作者单位	1.China Jiliang Univ, Inst Coordinat Bond Metrol & Engn CBME, Hangzhou 310018, Zhejiang, Peoples R China 2.China Jiliang Univ, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China 3.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Gansu, Peoples R China 4.Lanzhou Univ Technol, Sch Mat Sci & Engn, Lanzhou 730050, Gansu, Peoples R China
推荐引用方式 GB/T 7714	Yan, Lijin,Shen, Cheng,Niu, Lengyuan,et al. Experimental and Theoretical Investigation of the Effect of Oxygen Vacancies on the Electronic Structure and Pseudocapacitance of MnO2[J]. CHEMSUSCHEM,2019,12(15):3571-3581.
APA	Yan, Lijin.,Shen, Cheng.,Niu, Lengyuan.,Liu, Mao-cheng.,Lin, Jianhua.,...&Xu, Shiqing.(2019).Experimental and Theoretical Investigation of the Effect of Oxygen Vacancies on the Electronic Structure and Pseudocapacitance of MnO2.CHEMSUSCHEM,12(15),3571-3581.
MLA	Yan, Lijin,et al."Experimental and Theoretical Investigation of the Effect of Oxygen Vacancies on the Electronic Structure and Pseudocapacitance of MnO2".CHEMSUSCHEM 12.15(2019):3571-3581.