Xiamen, 361005
China
Xiamen University
LLZO, phase transition, vacancies, lithium-ion conductivity
Carbon nitride, Silicon (Si), Hydrogenation, CO2 electrochemical reduction, First-principles calculations, Constant-potential method
nitrogen reduction reaction, density functional theory, electrocatalytic, two-dimensional metal-carbon material, single-atom catalysts
Fluorine (F), graphitic carbon nitride, nitric oxide, density functional theory (DFT)
two-dimensional materials, Structural properties, Electronic structures, Diffusion properties, First-principles calculations
rare earth doping, electronic structures, Li migration, Li2FeSiO4, first-principles method
doping, Li2FeSiO4, formation energy, Electronic structures, First-principles calculations
Janus monolayer MoSSe, Stress-Strain, mechanical properties, First-principles calculations
First-principles calculations, constant-potential method, SiFeN6-graphene, CO2 electrocatalytic reduction reaction, synergistic effect
doping, Li2FeSiO4, Formation energy, electronic structures, First-principles calculations
first-principles calculations, SiC6, dioxygen activation, selective spin injection, spin-orbit coupling
