Band offset of the ZnO/Cu2O heterojunction from ab initio calculations

Visible-light driven heterojunction photocatalysts for water splitting – a critical review

“…This approach has being used to model many materials intefaces, including AlAs/GaAs, AlP/GaP, Si/GaP, Ge/GaAs, Ge/AlAs, Ge/ZnSe, ZnSe/GaAs, 191 ZnO/Cu 2 O, 225 InN/GaN, 226 CdTe/CdS, CdS/ZnS, InP/GaP, 211 and AlN/GaN. 227 191 They found that the position of the band edges critically depends on the method used, with accuracy improving with the accuracy of the calculated band-gaps, however, the interface dipole is well described even with semi-local density functionals.…”

“…where a is the lattice constant and q(z 0 ) is a unit step function dened as 1 when Àa/2 # z 0 # a/2. This approach has being used to model many materials interfaces, including AlAs/GaAs, AlP/ GaP, Si/GaP, Ge/GaAs, Ge/AlAs, Ge/ZnSe, ZnSe/GaAs, 191 ZnO/ Cu 2 O, 225 InN/GaN, 226 CdTe/CdS, CdS/ZnS, InP/GaP, 211 and AlN/ GaN. 227 Using this approach Zemzemi et al looked at the interface between the Cu 2 O(111) surface and the ZnO(0001) surface, using the hexagonal CdI 2 polytype structure that is stable under high pressure in order to minimize the lattice mismatch between the two materials.…”

Microstructure, optical properties, and catalytic performance of Cu2O-modified ZnO nanorods prepared by electrodeposition

“…The Cu 2 O/ZnO heterojunction has always been synthesized by several methods, such as thermal oxidation, sputtering, pulsed laser deposition, chemical vapor deposition, and electrodeposition. To our knowledge, much attention is focused on the Cu 2 O/ZnO heterojunction for solar cells, and there are few reports involving Cu 2 O/ZnO nanorods for photocatalysis studies [ 31 - 33 ]. Jeong et al [ 34 ] reported that interface recombination is the dominant carrier transport mechanism, and Cu 2 O/ZnO heterojunction solar cells have high potential as solar cells if the recombination and tunneling at the interface can be suppressed at room temperature.…”

Microstructure, optical properties, and catalytic performance of Cu2O-modified ZnO nanorods prepared by electrodeposition

“…To our knowledge, much attention is focused on the Cu 2 O/ZnO heterojunction for solar cells, and there are few reports involving Cu 2 O/ZnO nanorods for photocatalysis studies [31][32][33]. Jeong et al [34] reported that interface recombination is the dominant carrier transport mechanism, and Cu 2 O/ZnO heterojunction solar cells have high potential as solar cells if the recombination and tunneling at the interface can be suppressed at room temperature.…”