Radical defects modulate the photocatalytic response in 2D-graphitic carbon nitride.

ABSTRACT: Graphitic carbon nitride (gCN) is an important heterogeneous metal-free catalytic material. Thermally induced post-synthetic modifications, such as amorphization and/or reduction, were recently used to enhance the photocatalytic response of these materials for certain classes of organic transformations, with structural defects possibly playing an important role. The knowledge of how these surface modifications modulate the photocatalytic response of gCN is therefore not only interesting from a fundamental point of view, but also necessary for the development and/or tuning of metal-free gCN systems with superior photo-catalytic properties. Herein, employing density functional theory calculations and combining both the periodic and molecular approaches, in conjunction with experimental EPR m

SUBMITTER: Raciti E 

PROVIDER: S-EPMC9430681 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature