A DFT+U approach: Superior charge transfer characteristics and optoelectronic properties of GQD@TiO2 rutile (110) surface for improved hydrogen evolution

• Main Authors: Ullah, F., Mohamed, N.M., Kait, C.F., Ghani, U., Saheed, M.S.M.
• Format: Article
• Published: Elsevier B.V. 2022
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85127955309&doi=10.1016%2fj.surfin.2022.101952&partnerID=40&md5=5c9f5be42ab306b52d230b43eaeb009a; http://eprints.utp.edu.my/33054/

The understanding on complex electronic structure and charge transfer characteristics is crucial in the development of heterostructure-based photocatalyst such as graphene quantum dots (GQD) and titanium dioxide (TiO2). Simulation studies will be useful in gaining valuable insight on the complex sys...