Narrowing the band gap and suppressing electron–hole recombination in β-Fe 2 O 3 by chlorine doping

He, Gaoxiang; Lu, Linguo; Zhang, Ningsi; Liu, Wangxi; Chen, Zhongfang; Li, Zhaosheng; Zou, Zhigang

doi:10.1039/D2CP04723C

Title: Narrowing the band gap and suppressing electron–hole recombination in β-Fe ₂ O ₃ by chlorine doping

Journal Article · Wed Feb 01 00:00:00 EST 2023 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/D2CP04723C· OSTI ID:1909737

He, Gaoxiang ^[1]; Lu, Linguo ^[2]; Zhang, Ningsi ^[1];

^[1];

^[2];

^[1]; Zou, Zhigang ^[1]

Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures and School of Physics, Nanjing University, 22 Hankou Road, Nanjing 210093, People's Republic of China
Department of Physics, University of Puerto Rico, Rio Piedras Campus, San Juan, PR 00931, USA

The effects of halogen (F, Cl, Br, I, and At) doping in the direct-band-gap β-Fe ₂ O ₃ semiconductor on its band structures and electron–hole recombination have been investigated by density functional theory.

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Sponsoring Organization:: USDOE

OSTI ID:: 1909737

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Vol. 25 Journal Issue: 5; ISSN 1463-9076

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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