TY - JOUR
T1 - The interface structural, electronic and optical properties of ZnO nanowires/Graphene nanohybrid (ZnO NWs/G): Experimental and theoretical DFT investigations
AU - Boukhoubza, Issam
AU - MOHAMED, ACHEHBOUNE
AU - Derkaoui, Issam
AU - Apostol, Mariana Mihaela
AU - Basyooni, Mohamed A.
AU - Khenfouch, Mohammed
AU - Nedelcu, Liviu
AU - Enculescu, Ionut
AU - Matei, Elena
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2024/3/5
Y1 - 2024/3/5
N2 - In this work, a ZnO nanowires/graphene nanohybrid was synthesized by a three steps approach. Copper substrates were covered with graphene by chemical vapor deposition, further ZnO nanowires were electrochemically deposited on the as grown graphene on copper and finally a transfer process was employed for moving the heterostructure onto a different substrate. A comprehensive structural analysis which included scanning electron microscopy, X-ray diffraction and Raman measurements revealed that the ZnO nanowires crystallize in wurtzite structure perpendicular to graphene, the process leading to the formation of a nanohybrid heterostructure. The band gap energy of the ZnO nanowires deposited on graphene was estimated to be 3.11 eV, as calculated from the reflectance spectrum analysis. The GGA-PBE+U within Grimme (DFT-D) approach was used to provide an accurate description of the interface structure in terms of electronic and optical properties, confirming that the decrease in the band gap energy of ZnO nanowires is caused by the interaction with the graphene surface. The findings of this study could serve as an experimental and theoretical reference for upcoming studies on ZnO NWs/Graphene nanohybrid-based optoelectronic applications.
AB - In this work, a ZnO nanowires/graphene nanohybrid was synthesized by a three steps approach. Copper substrates were covered with graphene by chemical vapor deposition, further ZnO nanowires were electrochemically deposited on the as grown graphene on copper and finally a transfer process was employed for moving the heterostructure onto a different substrate. A comprehensive structural analysis which included scanning electron microscopy, X-ray diffraction and Raman measurements revealed that the ZnO nanowires crystallize in wurtzite structure perpendicular to graphene, the process leading to the formation of a nanohybrid heterostructure. The band gap energy of the ZnO nanowires deposited on graphene was estimated to be 3.11 eV, as calculated from the reflectance spectrum analysis. The GGA-PBE+U within Grimme (DFT-D) approach was used to provide an accurate description of the interface structure in terms of electronic and optical properties, confirming that the decrease in the band gap energy of ZnO nanowires is caused by the interaction with the graphene surface. The findings of this study could serve as an experimental and theoretical reference for upcoming studies on ZnO NWs/Graphene nanohybrid-based optoelectronic applications.
KW - Electrochemical deposition
KW - GGA-PBE+U
KW - Optoelectronic properties
KW - ZnO NWs/Graphene
UR - http://www.scopus.com/inward/record.url?scp=85183582908&partnerID=8YFLogxK
U2 - 10.1016/j.jallcom.2023.173109
DO - 10.1016/j.jallcom.2023.173109
M3 - Article
SN - 0925-8388
VL - 976
JO - Journal of alloys and Compounds
JF - Journal of alloys and Compounds
M1 - 173109
ER -