Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries <i>via</i> DFT calculations
Sharah Sami Rifah, Md. Sakib Zaman, Afiya Akter Piya, Siraj Ud Daula Shamim
Abstract
, which is almost two times higher than that of the bulk graphite anode material. The average open circuit voltages are calculated as 0.43 V and 0.11 V for ScSeS and TiSeS, respectively.
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Transition metalMaterials scienceAdsorptionContext (archaeology)AnodeDensity functional theoryIonElectrochemistryMetalChemical physicsInorganic chemistryChemistryNanotechnologyPhysical chemistryComputational chemistryElectrodeMetallurgyBiologyOrganic chemistryCatalysisPaleontologyBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsGraphene research and applications