Opportunities and challenges for 2D heterostructures in battery applications: a computational perspective
Mechanism of Charge Transfer in Olivine-Type LiFeSiO4 and LiFe0.5M0.5SiO4 (M = Mg or Al) Cathode Materials: First-Principles Analysis
Tuning electrochemical potential of LiCoO2 with cation substitution: first principles predictions and electronic origin
Electrochemical potentials of layered oxide and olivine phosphate with aluminum substitution: A first principles study
Origins of electrochemical performance of olivine phosphate as cathodes in Li-ion batteries: Charge transfer, spin-state, and structural distortion
Structural Transformation During Li/Na Insertion and Theoretical Cyclic Voltammetry of the δ-NH4V4O10 Electrode: A first-principles study
