Sulfur functions as the activity centers for high-capacity lithium ion batteries in S- and O-bifunctionalized MXenes: A density functional theory (DFT) study
Xiujun Wang, Yifei Cai, Songping Wu, Baitao Li
Topics & Concepts
MXenesAdsorptionSulfurMaterials scienceDensity functional theoryElectrochemistryLithium (medication)NitrideChemical engineeringInorganic chemistryElectrodeLayer (electronics)NanotechnologyChemistryPhysical chemistryComputational chemistryMetallurgyEngineeringMedicineEndocrinologyMXene and MAX Phase Materials2D Materials and ApplicationsFerroelectric and Negative Capacitance Devices