2024
DOI: 10.1039/d4cp00269e
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First-principles studies of enhanced oxygen reduction reactions on graphene- and nitrogen-doped graphene-coated platinum surfaces

Ho Ngoc Nam,
Quan Manh Phung,
Pongpol Choeichom
et al.

Abstract: Developing innovative platinum-based electrocatalysts and enhancing their efficiency are crucial for advancing high-performance fuel cell technology. In this study, we employed DFT calculations to provide a theoretical basis for interpreting...

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“…Altogether, the increase in the catalytic activity could be attributed to the following factors: (1) The smaller size of the deposited Pt NPs results in an increase of the ECSA and therefore an increase of the number of active sites for the MOR. (2) The presence of the nitrogen atom affects the d-band center , of deposited Pt NPs, inducing a better adsorption of hydroxide moieties at the surface at a lower potential. (3) The presence of nitrogen atoms could alter the electron density of the Pt NPs .…”
Section: Resultsmentioning
confidence: 99%
“…Altogether, the increase in the catalytic activity could be attributed to the following factors: (1) The smaller size of the deposited Pt NPs results in an increase of the ECSA and therefore an increase of the number of active sites for the MOR. (2) The presence of the nitrogen atom affects the d-band center , of deposited Pt NPs, inducing a better adsorption of hydroxide moieties at the surface at a lower potential. (3) The presence of nitrogen atoms could alter the electron density of the Pt NPs .…”
Section: Resultsmentioning
confidence: 99%