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Updated: Jul 26, 2025
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Tuning Electronic State and Charge Transport in B←N-Containing 2D Polymer Heterostructures with Efficient
Binbin Wang1, Xiao Wang2, Bingbing Wang1
1State Key Laboratory of Bio-Fibers and Eco-Textiles, Collaborative Innovation Center of Shandong Marine Biobased Fibers and Ecological Textiles, Institute of Marine Biobased Materials, College of Materials Science and Engineering, Qingdao University, Qingdao, 266071, P. R. China.
Abstract:
Linear-conjugated polymers (LCPs) are excellent semiconductor photocatalysts. However, its inherent amorphous structures and simple electron transport channels restrict efficient photoexcited charge separation and transfer. Herein, "2D conjugated engineering" is employed to design high-crystalline polymer photocatalysts with multichannel charge transport by introducing alkoxyphenyl sidechains. The electronic state structure and electron transport pathways of the LCPs are investigated using experimental and theoretical calculations. Consequently, the 2D B←N-containing polymers (2DPBN) exhibit excellent photoelectric characteristics, which enable the efficient separation of electron-hole and rapidly transfer photogenerated carriers to the catalyst surface for efficient catalytic reactions. Significantly, the further hydrogen evolution of 2DPBN-4F heterostructures can be achieved by increasing the fluorine content of the backbones. This study highlights that the rational design of LCP photocatalysts is an effective strategy to spur further interest in photofunctional polymer material applications.
