A Spin-polarized DFT study of functionalized MXenes as effective anchor materials in lithium-sulfur batteries
Yize Niu, Ying Jiang, Feihu Zou, Weiqi Song, Yüe Zhao, Hongye Zhang, Qiang Li, Yuanyuan Pan
Abstract
The absorption energies of S 8 /Li 2 S n absorbed on (a) M 2 CF 2 and (b) M 2 CO 2 monolayer. The dotted and solid lines represent the absorption energy with the spin-polarized and the non-spin-polarized calculations, respectively.
Topics & Concepts
MXenesMonolayerLithium (medication)Spin (aerodynamics)Absorption (acoustics)SulfurMaterials scienceAbsorption spectroscopyChemistryNanotechnologyPhysicsOrganic chemistryOpticsThermodynamicsComposite materialEndocrinologyMedicineMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Battery Materials and Technologies