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
Density Functional Theory, dual-functional photocatalyst, atomically precise, Pd4 cluster, monolayer MoS2
Dual-channel electron modulation, Selective direct deoxygenation, Single atom catalyst, Density functional theory
first principles calculations, black phosphorus, twisted angle, Photocatalytic CO2 reduction
Fe3 cluster, DDO, DFT, Phenol, Homogeneous catalytic site
electrochemical CO2 reduction reaction, high-spin state driven, nitrogen-rich carbon nitride, synergistic electron injection
Selective direct deoxygenation, Single atom catalyst, High-throughput screening, Descriptors, first-principles calculations
