Hybrid graphene/titania nanocomposite : interface charge transfer, hole doping, and sensitization for visible light response
Du, Aijun, Ng, Yun Hau, Bell, Nicholas J., Zhu, Zhonghua, Amal, Rose, & Smith, Sean C. (2011) Hybrid graphene/titania nanocomposite : interface charge transfer, hole doping, and sensitization for visible light response. The Journal of Physical Chemistry Letters, 2(8), pp. 894-899.
We demonstrated for the first time by large-scale ab initio calculations that a graphene/titania interface in the ground electronic state forms a charge-transfer complex due to the large difference of work functions between graphene and titania, leading to substantial hole doping in graphene. Interestingly, electrons in the upper valence band can be directly excited from graphene to the conduction band, that is, the 3d orbitals of titania, under visible light irradiation. This should yield well-separated electron−hole pairs, with potentially high photocatalytic or photovoltaic performance in hybrid graphene and titania nanocomposites. Experimental wavelength-dependent photocurrent generation of the graphene/titania photoanode demonstrated noticeable visible light response and evidently verified our ab initio prediction.
Impact and interest:
Citation counts are sourced monthly from and citation databases.
These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.
Citations counts from theindexing service can be viewed at the linked Google Scholar™ search.
|Item Type:||Journal Article|
|Keywords:||graphene; titania; first-principle modeling; charge transfer; interface; visible light response; hole doping|
|Subjects:||Australian and New Zealand Standard Research Classification > ENGINEERING (090000)|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Deposited On:||10 Apr 2013 22:08|
|Last Modified:||12 Jul 2013 01:35|
Repository Staff Only: item control page