2D Honeycomb-Kagome Polymer Tandem as Effective Metal-Free Photocatalysts for Water Splitting
Jing Y, Zhou Z, Geng W, Zhu X, Heine T (2021)
Publication Type: Journal article
Publication year: 2021
Journal
Book Volume: 33
Article Number: 2008645
Journal Issue: 21
Abstract
On the basis of first-principles calculations, the potential of applying 2D honeycomb-kagome polymers made of heteroatom-centered triangulene derivatives to photocatalyze water splitting is explored. The designed 2D polymers possess indirect bandgaps in the range of 1.80–2.84 eV and show pronounced light absorption in the ultraviolet and visible region of the solar spectrum. With suitable band edge alignment, the examined N- and B-center polymers can generate sufficient photon-excited electrons and holes to activate the hydrogen and oxygen evolution reactions, respectively. The combination of lattice-inherent band features (flat bands) with chemical functionalization (potential shift due to heteroatoms) makes it possible to construct tandem cells with suppressed electron/hole recombination for effective overall water splitting. In addition, there is a potential difference between the half-electrodes that can be utlized to power auxiliary components in self-sufficient photocatalyzers.
Involved external institutions
China (CN)How to cite
APA:
Jing, Y., Zhou, Z., Geng, W., Zhu, X., & Heine, T. (2021). 2D Honeycomb-Kagome Polymer Tandem as Effective Metal-Free Photocatalysts for Water Splitting. Advanced Materials, 33(21). https://doi.org/10.1002/adma.202008645
MLA:
Jing, Yu, et al. "2D Honeycomb-Kagome Polymer Tandem as Effective Metal-Free Photocatalysts for Water Splitting." Advanced Materials 33.21 (2021).
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