First-principles study of 2H-Mo<sub>2</sub>C-based MXenes under biaxial strain as Li-battery anodes
Satchakorn Khammuang, Anucha Pratumma, Aparporn Sakulkalavek, Thanayut Kaewmaraya, Tanveer Hussain, Komsilp Kotmool
Abstract
C-based MXenes upon tuning biaxial strain. They also give a guideline on what conditions are appropriate for practically implementing these MXenes as electrode materials in LIBs.
Topics & Concepts
MXenesMaterials scienceAnodeAdsorptionBattery (electricity)Ab initioDensity functional theoryStrain (injury)Lithium (medication)MAX phasesDiffusionIonChemical physicsThermodynamicsNanotechnologyPhysical chemistryComputational chemistryComposite materialChemistryCarbidePhysicsElectrodeOrganic chemistryPower (physics)EndocrinologyInternal medicineMedicineMXene and MAX Phase MaterialsAdvancements in Battery Materials2D Materials and Applications