▎ 摘　　要

Rubidium-ion batteries(RIBs) have received a lot of attentionin the quantum field because of their fast release and reversibleadvantages as alkali sources. However, the anode material of RIBsstill follows graphite, whose layer spacing can greatly restrict thediffusion and storage capability of Rb-ions, posing a significantbarrier to RIB development. Herein, using first-principles calculations,the potential performance of three kinds of in-plane porous graphenewith pore sizes of 5.88 angstrom (HG588), 10.39 angstrom (HG1039), and14.20 angstrom (HG1420) as anode materials for RIBs was explored. Theresults indicate that HG1039 appears to be an appropriate anode materialfor RIBs. HG1039 has excellent thermodynamic stability and a volumeexpansion of <25% during charge and discharge. The theoreticalcapacity of HG1039 is up to 1810 mA h g(-1), whichis similar to 5 times higher than that of the existing graphite-basedlithium-ion batteries. Importantly, not only HG1039 enables the diffusionof Rb-ions at the three-dimensional level but also the electrode-electrolyteinterface formed by HG1039 and Rb-beta-Al2O3 facilitates the arrangement and transfer of Rb-ions. In addition,HG1039 is metallic, and its outstanding ionic conductivity (diffusionenergy barrier of only 0.04 eV) and electronic conductivity indicatessuperior rate capability. These characteristics make HG1039 an appealinganode material for RIBs.