ZnO monolayer-supported single atom catalysts for efficient electrocatalytic hydrogen evolution reaction

Abstract

Hydrogen has been identified as one of the most promising sustainable and clean energy sources. Developing hydrogen evolution reaction (HER) catalyst with high activity is essential to meet future needs....

Local symmetry-driven interfacial magnetization and electronic states in (ZnO)n/(w-FeO)n superlattices

“…This is in line with the data collected in a previous review, 49 where using DFT alone far underestimates its band gap, which can be corrected by enabling the Hubbard correction for both Zn and O species. 49,60 Here, we re-calculated the band gap using U = 10 eV and 6.5 eV for Zn-3d and O-2p orbitals, respectively, as was used in Harun et al , 48 which utilized the same type of functional (PBEsol). The band gap we obtained is 3.05 eV, which is in good agreement with their band gap of 3.102 eV and much closer to the experimental value of ∼3.4 eV.…”

Interfacial electronic state between hexagonal ZnO and cubic NiO

“…4–7 ZnO nanofilms are also expected to be promising thermoelectrics 8 and catalysts for efficient hydrogen reaction. 9 However, stable p-type ZnO thin films exhibit self-compensation due to a large concentration of background n-type carriers. 10,11 Alternative p-type oxides such as NiO have been studied.…”