Zhang, Weiwei, Yu, Miaojie, Liu, Tao, Cong, Muyu, Liu, Xueyan, Yang, Haofan, Bai, Yang, Zhu, Qiang, Zhang, Shuo, Gu, Hongxu et al (show 7 more authors)
(2024)
Accelerated discovery of molecular nanojunction photocatalysts for hydrogen evolution by using automated screening and flow synthesis.
Nature Synthesis.
pp. 1-11.
|
PDF
Accelerated discovery of molecular nanojunction photocatalysts for hydrogen evolution by using automated screening and flow synthesis.pdf - Open Access published version Download (2MB) | Preview |
Abstract
Discovering and optimizing multicomponent organic semiconductors is typically a laborious process. High-throughput experimentation can accelerate this, but the results of small-scale screening trials are not always transferable to bulk materials production. Here we report the accelerated discovery of molecular nanojunction photocatalysts based on a combinatorial donor–acceptor molecular library assisted by high-throughput automated screening. The knowledge gained from this high-throughput batch screening is then transferred to a scaled-up, flow-based synthesis process. The scaled-up molecular nanojunction MTPA-CA:CNP147 (3-(4-(bis(4-methoxyphenyl)amino)phenyl)-2-cyanoacrylic acid:2,6-bis(4-cyanophenyl)-4-(4′-fluoro-[1,1′-biphenyl]-4-yl)pyridine-3,5-dicarbonitrile) exhibits a sacrificial hydrogen evolution rate of 330.3 mmol h−1 g−1 with an external quantum efficiency of 80.3% at 350 nm, which are among the highest reported for an organic photocatalyst. A one-dimensional nanofibre architecture is identified for this molecular nanojunction, which exhibits efficient charge separation. Electronic structure–property correlations across the photocatalyst library show that a moderate binding energy between the donor and the acceptor molecules is a potential factor for efficient molecular nanojunction formation.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | 7 Affordable and Clean Energy |
| Divisions: | Faculty of Science and Engineering > School of Physical Sciences |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 22 Mar 2024 15:49 |
| Last Modified: | 22 Mar 2024 15:49 |
| DOI: | 10.1038/s44160-024-00494-9 |
| Related URLs: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3179816 |
Dimensions
Dimensions
