Theoretical prediction of 2D biphenylene as a potential anchoring material for lithium–sulfur batteries
Han Wang, Fan Kong, Zonggang Qiu, Jiyuan Guo, Huabing Shu, Wei Qin
Abstract
S on intrinsic/B doped BIP is 1.35 eV, while the diffusion energy barrier of Li atoms on intrinsic/B doped BIP is 0.18 eV/0.30 eV. Lower energy barriers are conducive to enhancing the discharging and charging efficiency. Therefore, intrinsic and B doped BIP are predicted as good anchoring materials for Li-S batteries.
Topics & Concepts
AnchoringBiphenyleneLithium (medication)Materials scienceAdsorptionSulfurConductivityDopingCatalysisNanotechnologyChemistryComposite materialPhysical chemistryOrganic chemistryOptoelectronicsMetallurgyStructural engineeringPolymerEngineeringEndocrinologyMedicinePhenyleneAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsChemical Synthesis and Characterization