Published January 7, 2024
| Version v1
Dataset
Open
Tailoring Photocatalytic Water Splitting Activity of Boron Thiophene Polymer through Pore Size Engineering
Description
In this work, we theoretically explore the chemistry of boron thiophene (B-TP) polymers, and demonstrate the remarkable ability of size variation coupled with an alternating arrangement of donor-acceptor units (TP and B) to tune overall actactivity of photocatalytic water splitting.
We have provided all the important dataset of this project within the current DOI.
Files
AIMD simulations.zip
Files
(1.6 GB)
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