Novel Triangulenes: Computational Investigations of Energy Thresholds for Photocatalytic Water Splitting

Organic materials with Inverted Singlet‐Triplet (INVEST) gaps are interesting for their potential use in photocatalytic small molecule transformations such as the entirely solar‐driven water splitting reaction. However, only a few INVEST emitters are thermodynamically able to split water requiring a...

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Bibliographic Details
Published in:Chemphyschem 2023-12, Vol.24 (23), p.e202300556-n/a
Main Authors: Curtis, Kevin, King, Corban, Odoh, Samuel O.
Format: Article
Language:English
Subjects:
Algorithms
Carbon nitride
Emitters
INVEST emitters
Machine learning
Organic materials
organic semiconductors
Oscillator strengths
Photocatalysis
Solvation
triangulenes
Water splitting
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