Carboxyl group enhanced CO tolerant GO supported Pt catalysts: DFT and electrochemical analysis

Sharma, S, Groves, MN, Fennell, J, Soin, Navneet ORCID: 0000-0002-0196-2071, Horswell, SL and Malardier-Jugroot, C (2014) Carboxyl group enhanced CO tolerant GO supported Pt catalysts: DFT and electrochemical analysis. Chemistry of Materials, 26 (21). pp. 6142-6151. ISSN 0897-4756

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The effect of residual oxygen species in as-prepared Pt nanoparticle on partially reduced graphene oxide (Pt/PRGO) and partially reduced carboxylated-GO (Pt/PR(GO–COOH)) supports was investigated using electrochemical CO stripping and density functional theory (DFT) analysis. Pt/PRGO and Pt/PR(GO–COOH) revealed a clear negative shift in CO-stripping onset potential compared to commercial Pt/carbon black. DFT analysis confirmed that the presence of a −COOH group provides the most resistance for CO adsorption. This CO-Pt binding energy is significantly lower than that observed in the presence of an −OH group, which is the most abundant oxygen group in carbon supports. The Pt-CO dissociation energies (on a 42-atom graphene sheet) in the presence of various oxygen groups, in descending order, were OH > C═O ≈ C–O–C > COOH. Although single-bonded carbon–oxygen groups (−OH and C–O–C) are more abundant on the GO basal plane and play an important role in Pt nanoparticle nucleation and distribution on graphene sheets, the double-bonded carbon–oxygen (C═O and COOH) groups are more abundant residual species post Pt nanoparticle growth and play a vital role in enhancing CO tolerance.

Item Type: Article
Additional Information: ACS AuthorChoice - This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes
Subjects: Q Science > QD Chemistry
Divisions: University of Bolton Research Centres > Institute for Materials Research and Innovation
Depositing User: Dr Navneet Soin
Date Deposited: 28 Mar 2018 10:42
Last Modified: 28 Mar 2018 10:42
Identification Number: 10.1021/cm502447s

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