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 Publication | Journal of Materials Chemistry A |
Volume | 2018Issue: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. |
Keyword | Supercapacitors First-principle |
MOST Discipline Catalogue | 理学 |
DOI | 10.1039/c8ta03451f |
URL | 查看原文 |
If | 9.93 |
Language | 英语 |
compositor | 第二作者单位 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.licp.cn/handle/362003/24424 |
Collection | 清洁能源化学与材料实验室 |
Corresponding Author | Jing Qi; Shulai Lei; Bao Liu |
Affiliation | 1.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 Affilication | Lanzhou 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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A combined DFT and e(1620KB) | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text |
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