TY  - JOUR
UR  - https://www.scopus.com/inward/record.uri?eid=2-s2.0-85119354109&doi=10.1016%2fj.apsusc.2021.151871&partnerID=40&md5=520aa012970839c68faf0017d4d1254e
A1  - Ullah, F.
A1  - Bashiri, R.
A1  - Muti Mohamed, N.
A1  - Zaleska-Medynska, A.
A1  - Kait, C.F.
A1  - Ghani, U.
A1  - Shahid, M.U.
A1  - Saheed, M.S.M.
N1  - cited By 8
ID  - scholars17151
SN  - 01694332
N2  - 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) â?? 2 Ã? 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 gâ??1 hâ??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
Y1  - 2022///
KW  - Charge transfer; Density functional theory; Electronic properties; Electronic structure; Electrons; Graphene; Graphene quantum dots; Heterojunctions; High resolution transmission electron microscopy; Hydrogen production; Light absorption; Nanocrystals; Nanorods; Photoelectrochemical cells; Quantum chemistry; Semiconductor quantum dots; Solar energy; Solar power generation
KW  -  Cell density; Density-functional-theory; Interface characteristic; Multiple process; One-dimensional; Photo-anodes; Photocatalytic hydrogen production; Photoelectrochemicals; Solar-powered; TiO2 rutile (0 1 1) â?? 2 Ã? 1 surface
KW  -  Titanium dioxide
TI  - Exploring graphene quantum dots@TiO2 rutile (0 1 1) interface for visible-driven hydrogen production in photoelectrochemical cell: Density functional theory and experimental study
VL  - 576
PB  - Elsevier B.V.
JF  - Applied Surface Science
AV  - none
ER  -