Hexagonal Mg<sub>2</sub>B<sub>2</sub> and Ca<sub>2</sub>B<sub>2</sub> monolayers as promising anode materials for Li-ion and Na-ion batteries
Yuqi Sun, Kaiqi Li, Bing Wang, Weimin Zhang, Erpeng Wang, Jian Zhou, Zhimei Sun
Abstract
for Li/Na ions at delithiated/desodiated states (27/14 and 16/12 meV) and lithiated/sodiated states (187/58 and 52/34 meV) illustrate their excellent charge-discharge capabilities. These intriguing findings demonstrate the superior performance of the predicted IIA metal boride monolayers as promising anode materials for LIBs and SIBs and break through the limitations of transition metal MBenes as anode materials in terms of overall performance. Our study opens the door to the application of the main group metal MBenes in ion energy storage.
Topics & Concepts
AnodeMonolayerHexagonal crystal systemMaterials scienceIonTransition metalMetalCrystallographyInorganic chemistryNanotechnologyChemistryPhysical chemistryElectrodeMetallurgyCatalysisBiochemistryOrganic chemistryMXene and MAX Phase MaterialsSuperconductivity in MgB2 and AlloysBoron and Carbon Nanomaterials Research