relation: https://khub.utp.edu.my/scholars/17151/
title: Exploring graphene quantum dots@TiO2 rutile (0 1 1) interface for visible-driven hydrogen production in photoelectrochemical cell: Density functional theory and experimental study
creator: Ullah, F.
creator: Bashiri, R.
creator: Muti Mohamed, N.
creator: Zaleska-Medynska, A.
creator: Kait, C.F.
creator: Ghani, U.
creator: Shahid, M.U.
creator: Saheed, M.S.M.
description: Insufficient knowledge on multiple processes at the interface of different phases of one-dimensional titanium dioxide (1D TiO2) photoanodes hinders the efficiency of solar-powered hydrogen production in a photoelectrochemical cell. Density functional theory (DFT) and experimental studies were performed to identify the interface characteristics of the heterojunction formation between 1D TiO2 (0 1 1) surface and graphene quantum dots (GQDs) for the enhancement of photocatalytic hydrogen production. The interfacial electronic structure, charge transfer, and optical characteristics of the GQD@TiO2 rutile (0 1 1) � 2 � 1 surface were simulated and experimentally validated using Hubbard modified generalised gradient approximation (GGA + U). Both theoretical and experimental results confirmed the extension of optical absorption into the visible range and frequent charge transfer from GQD to the TiO2 rutile (0 1 1) surface, facilitating electron-hole separation and reducing charge recombination rate. Furthermore, the formation of highly crystalline TiO2 rutile (0 1 1) nanorods with uniform distribution of GQDs was validated through X-ray diffraction (XRD) and transmission electron microscopy (TEM) results. The hydrogen production rate over GQD@TiO2 rutile (0 1 1) photoanode was 31063 µmol g�1 h�1, nearly five times more efficient than the pristine TiO2 rutile (0 1 1). Also, a mechanism for photogenerated electron transfer and energy-band-matching at the hybrid interface was proposed. © 2021
publisher: Elsevier B.V.
date: 2022
type: Article
type: PeerReviewed
identifier:   Ullah, F. and Bashiri, R. and Muti Mohamed, N. and Zaleska-Medynska, A. and Kait, C.F. and Ghani, U. and Shahid, M.U. and Saheed, M.S.M.  (2022) Exploring graphene quantum dots@TiO2 rutile (0 1 1) interface for visible-driven hydrogen production in photoelectrochemical cell: Density functional theory and experimental study.  Applied Surface Science, 576.   ISSN 01694332     
relation: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119354109&doi=10.1016%2fj.apsusc.2021.151871&partnerID=40&md5=520aa012970839c68faf0017d4d1254e
relation: 10.1016/j.apsusc.2021.151871
identifier: 10.1016/j.apsusc.2021.151871