eprintid: 17942
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/79/42
datestamp: 2024-06-04 14:10:00
lastmod: 2024-06-04 14:10:00
status_changed: 2024-06-04 14:00:54
type: article
metadata_visibility: show
creators_name: Ullah, F.
creators_name: Ghani, U.
creators_name: Mohamed Saheed, M.S.
title: A PN-type CuO@TiO2 nanorods heterojunction for efficient PEC water splitting: DFT model and experimental investigation on the effect of calcination temperature
ispublished: pub
keywords: Calcination; Charge transfer; Copper oxides; Density functional theory; Heterojunctions; Hydrogen production; Light absorption; Nanorods; Oxide minerals; Redox reactions; Solar power generation; Van der Waals forces, Calcination temperature; Cupric oxide; Density-functional-theory; Electron hole pairs; Experimental investigations; Heterostructure photocatalyst; Interfacial characteristics; Simulation approach; TiO2 rutile (011) surface; Water splitting, Titanium dioxide
note: cited By 1
abstract: Heterojunction formation between two dissimilar semiconductors is a promising strategy to improve the harvesting of the visible photons and separation of the electron-hole pairs in semiconductor-based photocatalysts. Herein, the interfacial characteristics of TiO2 rutile (011) surface and Cu-MOF derived cupric oxide (CuO) were examined via simulation and experimental approaches for solar hydrogen production. The results illustrate the formation of van der Waals type heterojunction (Type-II) with higher visible light absorption and lesser charge transfer resistance. This was attributed to significant charge transfer from CuO to the TiO2 surface, establishing a PN-type heterojunction. The valence band maxima and conduction band minima of the designed heterostructure matched well with redox potential of water even with the considerable bandgap reduction around 1.66 eV. Furthermore, the hybrid photocatalyst calcined at 450 °C produced the highest hydrogen production at 32,766 μmol g�1 h�1. The outcome thus provides a valuable insight in developing suitable photocatalysts for practical production of hydrogen through photo-electrolysis technique. © 2023 Hydrogen Energy Publications LLC
date: 2023
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85169794047&doi=10.1016%2fj.ijhydene.2023.07.159&partnerID=40&md5=e0f9fb033e822553bf32b5853d501cf3
id_number: 10.1016/j.ijhydene.2023.07.159
full_text_status: none
publication: International Journal of Hydrogen Energy
volume: 48
number: 100
pagerange: 39866-39884
refereed: TRUE
citation:   Ullah, F. and Ghani, U. and Mohamed Saheed, M.S.  (2023) A PN-type CuO@TiO2 nanorods heterojunction for efficient PEC water splitting: DFT model and experimental investigation on the effect of calcination temperature.  International Journal of Hydrogen Energy, 48 (100).  pp. 39866-39884.