Low-temperature induced crystallographic orientation boosting Li storage performance of Na_(2)MoO_(4)·2H_(2)O  

作　　者：Jia-Qi Ma Yan-Li Chen Qiong Peng Yun-Peng Qu Jun-Fei Ding Xiu Gong Jing-Liang Yang Xiao-Si Qi Yun-Lei Zhou 

机构地区：[1]College of Physics,Guizhou University,Guiyang,550025,China [2]Hangzhou Institute of Technology,Xidian University,Hangzhou,311200,China

出　　处：《Rare Metals》2025年第1期135-146,共12页稀有金属(英文版)

基　　金：supported by the Natural Science Foundation of Guizhou Province(No.ZK 2022-044);the Platform of Science and Technology and Talent Team Plan of Guizhou Province(No.GCC[2023]007);the National Science Foundation of China(Nos.52101010 and 11964006);the Fund of Natural Science Special(Special Post)Research Foundation of Guizhou University(No.2021-018).

摘　　要：The design and development of high-performance anodes pose significant challenges in the construction of next-generation rechargeable lithium-ion batteries(LIBs).Sodium molybdate dihydrate(Na_(2)MoO_(4)·2H_(2)O)has garnered increasing attention due to its cost-effectiveness,non-toxicity and earth abundance.To enhance the Li storage performance of Na_(2)MoO_(4)·2H_(2)O,a crystallographic orientation regulation strategy is proposed in this work.Initially,density functional theory calculations are carried out to demonstrate that the(020)crystal plane of Na_(2)MoO_(4)·2H_(2)O offers the lowest energy barrier for Li^(+)migration.Subsequently,the preferred crystallographic orientation of Na_(2)MoO_(4)·2H_(2)O crystal is tuned through a low-temperature recrystallization method.Furthermore,the microstructure and phase changes of Na_(2)MoO_(4)·2H_(2)O during the lithiation/de-lithiation process are studied using in situ and ex situ XRD tests,ex situ XPS and cyclic voltammetry to unravel its Li^(+)storage mechanism.Upon application as LIBs anode,the Na_(2)MoO_(4)·2H_(2)O single-crystal particles with a preferred(020)surface exhibit superior reversible capacity,high-capacity retention and high cycling stability.The enhanced Li storage performance should be attributed to the regulated crystallographic orientation and small changes in the crystal microstructure during the charge/discharge process,which facilitates Li^(+)migration and bolsters structural stability.Notably,this study introduces a novel concept and a simple synthesis method for the advancement of electrodes in rechargeable batteries.

关 键 词：Sodium molybdate dehydrate Lithium-ion battery Crystallographic orientation engineering Low-temperature recrystallization 

分 类 号：O61[理学—无机化学]