文献类型：期刊文献

英文题名：Metal-Cation-Induced Tiny Ripple on Graphene

作者：Huang, Yingying[1];Li, Hanlin[1];Zhu, Liuyuan[1];Song, Yongshun[1];Fang, Haiping[1,2]

机构：[1]East China Univ Sci & Technol, Sch Phys, Shanghai 200237, Peoples R China;[2]Zhejiang Univ, Sch Phys, Hangzhou 310027, Peoples R China

年份：2024

卷号：14

期号：19

外文期刊名：NANOMATERIALS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:001331974800001)】；

基金：This work was supported by the National Natural Science Foundation of China (12004109), the Natural Science Foundation of Shanghai, China (23JC1401400), and the Fundamental Research Funds for the Central Universities of East China University of Science.

语种：英文

外文关键词：tiny ripple; graphene; metal cation; electronic property

摘要：Ripples on graphene play a crucial role in manipulating its physical and chemical properties. However, producing ripples, especially at the nanoscale, remains challenging with current experimental methods. In this study, we report that tiny ripples in graphene can be generated by the adsorption of a single metal cation (Na+, K+, Mg2+, Ca2+, Cu2+, Fe3+) onto a graphene sheet, based on the density functional theory calculations. We attribute this to the cation-pi interaction between the metal cation and the aromatic rings on the graphene surface, which makes the carbon atoms closer to metal ions, causing deformation of the graphene sheet, especially in the out-of-plane direction, thereby creating ripples. The equivalent pressures applied to graphene sheets in out-of-plane direction, generated by metal cation-pi interactions, reach magnitudes on the order of gigapascals (GPa). More importantly, the electronic and mechanical properties of graphene sheets are modified by the adsorption of various metal cations, resulting in opened bandgaps and enhanced rigidity characterized by a higher elastic modulus. These findings show great potential for applications for producing ripples at the nanoscale in graphene through the regulation of metal cation adsorption.