Type-II band alignment and enhanced optical properties in InP/Bi 2 Se 3 van der Waals heterojunctions: a first-principles and FDTD study

Dalton Transactions 2026

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Authors: Xinhao Xu, Xin Guo, Youchun Ma, Aida Bao, Yayou Wang, Yi-Xiang Wang, Qianxi Jing, Yurou Li, Dongyu Yang, Yajun You, Yongpeng Zhao, Pengfei Shao
DOI: 10.1039/d6dt00340k
Cited by: 1
References: 51

Abstract

In this paper, a novel InP/Bi 2 Se 3 van der Waals heterojunction was constructed, and its geometric, electrical, interface, and optical properties were precisely calculated using first-principles calculations and finite-difference time-domain.

Fields of Study & Subjects

2D Materials and Applications Boron and Carbon Nanomaterials Research Advanced Thermoelectric Materials and Devices

Publication details

Journal / source
Dalton Transactions
Publisher
Royal Society of Chemistry (RSC)
Volume
55
Issue
18
Pages
7300–7312
Publication date
1 January 2026
Language
EN