Density-Functional Theory, First-principles, GaAs(001)-β2(2x4) surface
Defect passivation, FAPbI3 perovskite, 18C6-K+, first-principles calculation
Defect passivation, FAPbI3 perovskite, 18C6-K+, First-principles calculation
Microbial electrolytic cell, Inoculum, Microbial community, Electrochemical properties
Ion exchange membrane, N-LAC/MoS2/PVDF, Microbial desalination cell (MDC), adsorption efficiency
Hexagonal Si1-xGex, Defect charge states, Defect energy levels, first-principles calculations