A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene | |
Lu, Yulan1,5; Su, Lijun1,4; Qi, Jing5; Lei, Shulai1; Liu, Bao1,4; Zang, Qi3; Shi, Siqi2; Yan, Xingbin1 | |
刊名 | JOURNAL OF MATERIALS CHEMISTRY A
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2018-07-28 | |
卷号 | 6期号:28页码:13717-13724 |
ISSN号 | 2050-7488 |
DOI | 10.1039/c8ta03451f |
英文摘要 | 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 1.48nm 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. |
资助项目 | National Natural Science Foundation of China[21573265] ; National Natural Science Foundation of China[21673263] ; Fundamental Research Funds for the Central Universities[lzujbky-2017-185] ; Chinese Academy of Sciences ; Youth Science Foundation of Gansu Province[1606RJYA258] |
WOS研究方向 | Chemistry ; Energy & Fuels ; Materials Science |
语种 | 英语 |
出版者 | ROYAL SOC CHEMISTRY |
资助机构 | National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Chinese Academy of Sciences ; Youth Science Foundation of Gansu Province |
内容类型 | 期刊论文 |
源URL | [http://ir.licp.cn/handle/362003/27236] ![]() |
专题 | 兰州化学物理研究所_清洁能源化学与材料实验室 |
通讯作者 | Qi, Jing; Lei, Shulai |
作者单位 | 1.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lab Clean Energy Chem & Mat, Lanzhou 730000, Gansu, Peoples R China 2.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China 3.Northwest Normal Univ, Sch Phys & Elect Engn, Lanzhou 730070, Gansu, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100039, Peoples R China 5.Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Gansu, Peoples R China |
推荐引用方式 GB/T 7714 | Lu, Yulan,Su, Lijun,Qi, Jing,et al. A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene[J]. JOURNAL OF MATERIALS CHEMISTRY A,2018,6(28):13717-13724. |
APA | Lu, Yulan.,Su, Lijun.,Qi, Jing.,Lei, Shulai.,Liu, Bao.,...&Yan, Xingbin.(2018).A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene.JOURNAL OF MATERIALS CHEMISTRY A,6(28),13717-13724. |
MLA | Lu, Yulan,et al."A combined DFT and experimental study on the nucleation mechanism of NiO nanodots on graphene".JOURNAL OF MATERIALS CHEMISTRY A 6.28(2018):13717-13724. |
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