TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study

Esmaili, Hamed, Kowsari, Elaheh, Sarabadani Tafreshi, Saeedeh, Ramakrishna, Seeram, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Abdouss, Majid 2022. TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study. Journal of Molecular Liquids 356 , 118960. 10.1016/j.molliq.2022.118960

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Abstract

Different graphene structures have received much attention due to their unique chemical and electron properties. In this report, we use heteroatom-doped graphene to coordinate Co2+ for use in photoelectrochemical cells. Flower-like TiO2 photoelectrode morphology was used as a semiconductor. Its surface was covalently modified with Co2+ coordinated nitrogen and sulfur-doped graphene quantum dot (S, N-GQD). S, N-GQD was used to improve visible light absorption and electron transport properties. Also, cobalt ions were coordinated with pyridinic nitrogen in the GQD structure and, like the cobalt-bipyridine complexes, acted as a catalyst for the water oxidation reaction. The modified photoelectrode significantly improved cell performance and resulted in a photocurrent density of 1.141 mA/cm2. To study the electronic structure of the compounds in more detail, we also used density functional theory (DFT) calculations. The obtained results confirmed the effective interactions of cobalt and S, N-GQD, and showed the energy levels and band gaps in agreement with the experimental results. This study led to the presentation of a new and robust strategy to improve the optical and catalytic performance of TiO2 nanoarrays in photoelectrochemical cells.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Advanced Research Computing @ Cardiff (ARCCA) Chemistry
Publisher:	Elsevier
ISSN:	0167-7322
Date of Acceptance:	17 March 2022
Last Modified:	02 Aug 2024 13:12
URI:	https://orca.cardiff.ac.uk/id/eprint/150968

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