Rational Design of Two-Dimensional Binary Polymers from Heterotriangulenes for Photocatalytic Water Splitting

Zhou Z, Springer MA, Geng W, Zhu X, Li T, Li M, Jing Y, Heine T (2021)

Publication Type: Journal article

Publication year: 2021

Journal

Journal of Physical Chemistry Letters American Chemical Society

Book Volume: 12

Pages Range: 8134-8140

Journal Issue: 33

DOI: 10.1021/acs.jpclett.1c02109

Abstract

On the basis of first-principles calculations, we report the design of three two-dimensional (2D) binary honeycomb-kagome polymers composed of B- and N-centered heterotriangulenes with a periodically alternate arrangement as in hexagonal boron nitride. The 2D binary polymers with donor-acceptor characteristics are semiconductors with a direct band gap of 1.98-2.28 eV. The enhanced in-plane electron conjugation contributes to high charge carrier mobilities for both electrons and holes, about 6.70 and 0.24 × 103 cm2 V-1 s-1, respectively, for the 2D binary polymer with carbonyl bridges (2D CTPAB). With appropriate band edge alignment to match the water redox potentials and pronounced light adsorption for the ultraviolet and visible range of spectra, 2D CTPAB is predicted to be an effective photocatalyst/photoelectrocatalyst to promote overall water splitting.

Involved external institutions

Nanjing Forestry University CN China (CN) Technische Universität Dresden DE Germany (DE)

How to cite

APA:

Zhou, Z., Springer, M.A., Geng, W., Zhu, X., Li, T., Li, M.,... Heine, T. (2021). Rational Design of Two-Dimensional Binary Polymers from Heterotriangulenes for Photocatalytic Water Splitting. Journal of Physical Chemistry Letters, 12(33), 8134-8140. https://doi.org/10.1021/acs.jpclett.1c02109

MLA:

Zhou, Zhenpei, et al. "Rational Design of Two-Dimensional Binary Polymers from Heterotriangulenes for Photocatalytic Water Splitting." Journal of Physical Chemistry Letters 12.33 (2021): 8134-8140.

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