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Li adsorption and diffusion on the surfaces of molybdenum dichalcogenides MoX2 (X = S, Se, Te) monolayers for lithium-ion batteries application: a DFT study

Malak Bounbaâ, Mohamed Khuili, Nejma Fazouan, El Houssine Atmani, Isam Allaoui, M. Houmad

2023Journal of Molecular Modeling15 citationsDOI

Topics & Concepts

MonolayerDensity functional theoryLithium (medication)SiliceneAnodeMolybdenumMolybdenum disulfideMaterials scienceAdsorptionDiffusionDiffusion barrierPhosphoreneIonChemical physicsGrapheneChemistryInorganic chemistryNanotechnologyComputational chemistryPhysical chemistryElectrodeThermodynamicsLayer (electronics)Composite materialOrganic chemistryEndocrinologyPhysicsMedicineAdvancements in Battery Materials2D Materials and ApplicationsAdvanced Thermoelectric Materials and Devices
Li adsorption and diffusion on the surfaces of molybdenum dichalcogenides MoX2 (X = S, Se, Te) monolayers for lithium-ion batteries application: a DFT study | Litcius