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Strain-engineered optoelectronic and photocatalytic properties of vacancy-free double perovskite Cs2KInI6 for hydrogen production: A first-principles study

delete2026-08-06
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PRE
AI
H
Houda Siah *
M
Meryem Sabri
A
Aya Chelh
H
H. Ez‐Zahraouy
DOI:10.1016/j.inoche.2026.117299delete
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Abstract

Abstract

En 中文
• Cs2KInI6 studied using DFT under 0%–6% tensile strain. • Lead-free double perovskite with potential low-toxicity and cost-effective advantages. • Bandgap decreases with strain ( ∼1.94→ 1.44 eV). • Strain improves visible-light absorption (red shift). • Band alignment suitable for water splitting (H2 production) and solar energy and CO2 reduction applications.

Journal

I
Inorganic Chemistry Communications
IF:
5.4
Papers:
1.4K
Citations:
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