Lanzhou
China
Lanzhou University of Technology
Induced grain boundary segregation, Σ5 [001](210) symmetrical tilt grain boundary, Grain boundary excess energy, Grain boundary strengthening, First-principles calculations, Nanograined Ni alloys
Induced grain boundary segregation, Σ5 [001](210) symmetrical tilt grain boundary, Grain boundary excess energy, Grain boundary strengthening, First-principles Calculations, Nanograined Ni alloys
Σ5 [001](210) grain boundary, Structural transformation, Twinning, Grain boundary relaxation, Molecular dynamics simulations
CO2 adsorption, Density functional theory, Graphene oxide, UIO-66-NH2
Ni Σ11 [110](113) symmetrical tilt grain boundary, Grain boundary segregation, Grain boundary stability, Grain boundary strength, First-principles
molecular intercalating-chemical bonds anchoring strategy, layered structure, sodium-ion storage, GO, sodium-ion capacitor
molecular anchoring strategy, layered structure, sodium ion storage, graphene oxide, sodium-ion capacitor
Interlayer charge distribution, Adsorption energy, Gibbs free energy, Catalytic performance
TC4 alloy, H+, α/β interphase, α colony
Na-S batteries, monolayer NiPS3, shuttle effect, reaction kinetics
Two-dimensional materials, Lithium-sulfur battery cathode, first-principles, MoB/graphene heterostructure, Surface oxygen functionalization
CrB MBene, Lithium-sulfur batteries, Surface functionalization, Polysulfide immobilization, Electrocatalysis
Surface adsorption, Stability, Electronic properties, Lithium-nitrogen batteries, First-principles calculations