489 Helanshan West Rd
Xixia
Yinchuan
China
Ningxia University
Dual-metal-site catalyst, C-O bond activation, H2 dissociation, Density Functional Theory, synergistic effects
Dual-metal-site catalyst, C-O bond activation, H2 dissociation, Density functional theory, synergistic effects
DFT calculation, dual-atoms doped, photocatalyst, Overall water splitting
Density functional calculations, Dual-metal hetero-single catalyst, Surface regulation of MoS2, Directly deoxygenation
first principles calculations, black phosphorus, twisted angle, Photocatalytic CO2 reduction
Fe3 cluster, DDO, DFT, Phenol, Homogeneous catalytic site
Cu−N diatomic active sites, DFT, single atom catalyst, CO2RR
Selective direct deoxygenation, Single atom catalyst, High-throughput screening, Descriptors, first-principles calculations
