Chongqing, 400715
China
Southwest University
Keywords: adsorption, metal porphyrin, graphene, orbital hybridization
heterojunction photocatalyst, Z-scheme photocatalyst, Water Splitting, Hydrogen evolution, overpotential, solar-to-hydrogen efficiency
solar photocatalytic hydrogen production, geospatial-meteorological analysis, machine learning enhanced optimization, techno-economic benchmarks, temporal variability of hydrogen production
high-throughput screening, machine learning, dual-atom anchored heterojunctions, photocatalytic hydrogen production, hybrid density functional theory
SnSeS/WSe2 heterobilayer, photocatalytic hydrogen production from water splitting, OER and HER overpotentials, Solar-to-hydrogen efficiency, hybrid density functional calculations, non-adiabatic molecular dynamics simulation
CdS/SnSSe, Heterojunctions, Z-scheme, Photocatalytic water-splitting, Hybrid density functional
Uranium oxynitride, First-principles calculations, Thermodynamic Stability, oxygen diffusion, Structural Properties