Optical properties of doping electrochromic M0.125W0.875O3 (M=Mo, Nb, Ta, Ti, V): A first-principles study

Tungsten trioxide (WO3) is a representative electrochromic material that can change their optical properties under voltage pulse and has attracted great interest in the applications of energy efficient windows. Models of M0.125W0.875O3 and LixM0.125W0.875O3 (M=Mo, Nb, Ta, Ti, V) were built to simula...

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Published in:Materials today communications 2020-12, Vol.25, p.101611, Article 101611
Main Authors: Cui, Yuanyuan, Wang, Qinfan, Gao, Yanfeng
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Language:English
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Doping
Electrochromism
First-principles calculation
Optical properties
Tungsten trioxide
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description Tungsten trioxide (WO3) is a representative electrochromic material that can change their optical properties under voltage pulse and has attracted great interest in the applications of energy efficient windows. Models of M0.125W0.875O3 and LixM0.125W0.875O3 (M=Mo, Nb, Ta, Ti, V) were built to simulate the optical properties of the bleached and colored state of WO3 materials by first-principles calculations. The results show that LixM0.125W0.875O3 (M= Nb, Ta, V) leads to an enhancement of the modulation efficiency in visible light and a decrease in the modulation efficiency in infrared (IR) region. Ti doping boosts an efficiency of the IR modulation while no modulation is observed in the visible light region. Mo doping promotes the coloration efficiency in both IR and visible regions. The predicted optical properties of these doped WO3 systems suggest the application in green house or thermal modulation smart window.
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subjects Doping
Electrochromism
First-principles calculation
Optical properties
Tungsten trioxide
title Optical properties of doping electrochromic M0.125W0.875O3 (M=Mo, Nb, Ta, Ti, V): A first-principles study
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