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Updated: Jul 19, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Construction of II-type and Z-scheme binding structure in P-doped graphitic carbon nitride loaded with ZnO and ZnTCPP
Xuan Xu1, Xiangbo Feng2, Wei Wang3
1Xi'an Key Laboratory of Advanced Photo-electronics Materials and Energy Conversion Device, School of Electronic Information, Xijing University, Xi'an 710123, Shaanxi, China; State Key Laboratory of Electrical Insulation and Power Equipment, Center of Nanomaterials for Renewable Energy, School of Electrical Engineering, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, China.
Abstract:
A ternary heterostructure (ZnPPO) was constructed by loading ZnO and tetrakis (4-carboxyphenyl) zinc porphyrin (ZnTCPP) with P-doped g-C3N4 (PCN). In contrast to binary heterostructures (PCN-ZnO, ZnTCPP-ZnO and ZnTCPP-PCN) and single components (PCN, ZnTCPP and ZnO), ZnPPO has superior photocatalytic activity for H2 generation from water splitting. It is revealed that a binding structure of Ⅱ-type and Z-scheme has been constructed in ZnPPO, which plays a vital role in transferring photo-excited charge carriers. The significant enhancement of photocatalytic activity in ZnPPO is attributed to the effective transfer of photo-generated electrons and holes between the components of the ternary heterostructure.
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