Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted <i>ab initio</i> quantum dynamics-Reference-Cited by-同舟云学术

Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted ab initio quantum dynamics

Published:2024 Issue:18 Volume:16 Page:8986-8995
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Agrawal Sraddha¹^ORCID,Wang Bipeng²^ORCID,Wu Yifan¹,Casanova David³⁴^ORCID,Prezhdo Oleg V.¹⁵^ORCID

Affiliation:

1. Department of Chemistry, University of Southern California, Los Angeles, CA 90089, USA

2. Department of Chemical Engineering, University of Southern California, Los Angeles, CA 90089, USA

3. Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain

4. IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Euskadi, Spain

5. Department of Physics and Astronomy, University of Southern California, Los Angeles, CA 90089, USA

Abstract

Transformations between multiple tautomeric forms of defective graphitic carbon nitride occur on nanosecond timescales, but these transformations have little influence on charge carrier lifetimes.

Funder

National Science Foundation

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NR/D4NR00606B

Reference77 articles.

1. Graphitic carbon nitride based nanocomposites: a review

2. Photocatalytic performance of few-layer graphitic C3N4: enhanced by interlayer coupling

3. Facing the key challenges of two-dimensional electronics

4. A metal-free polymeric photocatalyst for hydrogen production from water under visible light

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