Enhanced photocatalytic performance of Cu2O/TiO2/rGA composites to degrade gas-phase unsymmetrical dimethylhydrazine

Role of Interfacial Morphology in Cu2O/TiO2 and Band Bending: Insights from Density Functional Theory

“…Numerous experimental studies have been conducted to examine the interfacial band edges of Cu 2 O/TiO 2 . While the majority of investigations have reported a staggered (type II or Z -scheme) heterojunction featuring Cu 2 O band edges situated above the TiO 2 band edges, ,− a limited number of studies have identified a straddling (type I) heterojunction with the VB and CB of Cu 2 O positioned within the band gap of TiO 2 . , This has led to a debate regarding the nature of the heterostructure between type II, Z -scheme, and I configurations. Despite a great number of experimental studies, theoretical studies on Cu 2 O/TiO 2 remain scarce. , Although experimental research has provided valuable insights into the interfacial properties of Cu 2 O/TiO 2 , a more comprehensive understanding of the electronic properties at the interface is still needed, particularly from a theoretical standpoint.…”

“…While the majority of investigations have reported a staggered (type II or Z -scheme) heterojunction featuring Cu 2 O band edges situated above the TiO 2 band edges, 29 , 41 − 43 a limited number of studies have identified a straddling (type I) heterojunction with the VB and CB of Cu 2 O positioned within the band gap of TiO 2 . 33 , 44 This has led to a debate regarding the nature of the heterostructure between type II, Z -scheme, and I configurations. Despite a great number of experimental studies, theoretical studies on Cu 2 O/TiO 2 remain scarce.…”