Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study-Reference-Cited by-同舟云学术

Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study

Published:2021 Issue:11 Volume:23 Page:6422-6432
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ghasemi S. Alireza¹²³⁴⁵^ORCID,Mirhosseini Hossein¹²³⁴⁵^ORCID,Kühne Thomas D.¹²³⁴⁵

Affiliation:

1. Dynamics of Condensed Matter and Center for Sustainable Systems Design

2. Chair of Theoretical Chemistry

3. Paderborn University

4. D-33098 Paderborn

5. Germany

Abstract

We present novel structures of C₃N₅ with new structural motifs obtained based on a systematic search. Density functional calculations indicate that they have suitable band-edge positions for photocatalytic water splitting applications.

Funder

H2020 European Research Council

Alexander von Humboldt-Stiftung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06185A

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