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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

2020Applied Surface Science48 citationsDOI

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
Sulfur functions as the activity centers for high-capacity lithium ion batteries in S- and O-bifunctionalized MXenes: A density functional theory (DFT) study | Litcius