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A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene†
Department清洁能源化学与材料实验室
Yulan Lu1,2; Lijun Su2,3; Jing Qi1; Shulai Lei2; Bao Liu2,3; Qi Zang4; Siqi Shi5; Xingbin Yan2
The second department中国科学院兰州化学物理研究所
2018-06-15
Source PublicationJournal of Materials Chemistry A
Volume2018Issue:6Pages:13717-13724
Abstract

NiO and graphene composite electrode materials, due to their synergistic effects, are gaining increasing attention in the field of energy storage. However, the nucleation mechanism of NiO on graphene is incompletely understood. Here, highly dispersed NiO nanodots with a size of 1.48 nm anchored on reduced graphene oxide (NiO NDs@rGO) were synthesized by a solvothermal method. Density functional theory (DFT) results show that NiO NDs are more easily trapped by the defects on graphene through strong adsorption, which greatly reduces the possibility of diffusion and prevents agglomeration of NiO NDs. As a result, NiO NDs are mainly connected to defects on graphene, which explain the uniform dispersion of NiO NDs on the graphene surface. This unique structure serves to promote ion accessibility and shorten the electron transfer path from redox sites to the graphene backbone. Electrochemical evaluation shows that utilizing the composite as an electrode material for aqueous electrolytes can greatly improve the overall electrochemical performance. The combination of theory and the experimental study provides guidance for the design of new electrode materials.

KeywordSupercapacitors First-principle
MOST Discipline Catalogue理学
DOI10.1039/c8ta03451f
URL查看原文
If9.93
Language英语
compositor第二作者单位
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.licp.cn/handle/362003/24424
Collection清洁能源化学与材料实验室
Corresponding AuthorJing Qi; Shulai Lei; Bao Liu
Affiliation1.兰州大学
2.中国科学院兰州化学物理研究所
3.中国科学院大学
4.西北师范大学
5.上海大学
Corresponding Author AffilicationLanzhou Institute of Chemical Physics,Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Yulan Lu,Lijun Su,Jing Qi,等. A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene†[J]. Journal of Materials Chemistry A,2018,2018(6):13717-13724.
APA Yulan Lu.,Lijun Su.,Jing Qi.,Shulai Lei.,Bao Liu.,...&Xingbin Yan.(2018).A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene†.Journal of Materials Chemistry A,2018(6),13717-13724.
MLA Yulan Lu,et al."A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene†".Journal of Materials Chemistry A 2018.6(2018):13717-13724.
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