S-doped graphitic carbon nitride as potential catalyst towards oxygen reduction reaction

Issue Date

2017

Abstract

© The Electrochemical Society. Graphitic carbon nitride (GCN) is a polymeric material, which consists of carbon and nitrogen connected via tri-s-triazine-based patterns. By performing density functional theory (DFT) calculations, we show thatsubstitutional doping of various nitrogen sites by sulfur resulted in modification in terms of geometry of GCNbut also in its electronic properties. In particular, it was shown that depending on the location of thedopant, sulfur can either donate or withdraw electrons from its neighboring carbon atoms. This property can beutilized to tune the electronic properties of graphitic carbon nitride to allow the optimum adsorption ofoxygen on the catalyst surface.

Source or Periodical Title

ECS Transactions

ISSN

1938-6737

Volume

77

Issue

11

Page

621-628

Document Type

Article

Language

English

Identifier

https://doi.org/10.1149/07711.0621ecst

Digital Copy

yes

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