Local strain effects on bandgap energy in flexible <i>h</i> -WO3 nanowires

According to theoretical predictions, local strain in the bent regions of flexible nanowires can alter their electronic structure. However, the experimental validation of such strain-induced effects remains elusive. In this study, we established a clear correlation between local structural deformation and electronic properties in bent hexagonal-WO3 nanowires using four-dimensional scanning transmission electron microscopy and electron energy loss spectroscopy. Although a simple geometric bending model predicts an expansion of the (0001) lattice spacing on the outer side of the bend, our direct observations revealed a larger expansion than predicted. This lattice expansion was accompanied by a significant reduction in bandgap energy. We employed density functional theory calculations and crystal orbital Hamilton population analyses to provide a theoretical framework for these findings. These results provide direct experimental evidence of strain-induced modulation of the electronic structure in metal oxide nanowires.

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Publication Details

Journal
Microscopy
Published
2025-10-29
DOI
https://doi.org/10.1093/jmicro/dfaf050
Citations
1
Primary Topic
Transition Metal Oxide Nanomaterials
Type
article
Field-Weighted Citation Impact
0.61

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Local strain effects on bandgap energy in flexible h -WO3 nanowires

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article

Local strain effects on bandgap energy in flexible h -WO3 nanowires

Sho Nekita, Satoshi Hata, Naomu Sekiguchi, Yusuke Shimada, Satoshi Iikubo, Itsuki Misono, Tetsuya Okuyama, Yuya Kasamura
article en
1 citations

Abstract

According to theoretical predictions, local strain in the bent regions of flexible nanowires can alter their electronic structure. However, the experimental validation of such strain-induced effects remains elusive. In this study, we established a clear correlation between local structural deformation and electronic properties in bent hexagonal-WO3 nanowires using four-dimensional scanning transmission electron microscopy and electron energy loss spectroscopy. Although a simple geometric bending model predicts an expansion of the (0001) lattice spacing on the outer side of the bend, our direct observations revealed a larger expansion than predicted. This lattice expansion was accompanied by a significant reduction in bandgap energy. We employed density functional theory calculations and crystal orbital Hamilton population analyses to provide a theoretical framework for these findings. These results provide direct experimental evidence of strain-induced modulation of the electronic structure in metal oxide nanowires.

Microscopy
Panasonic (Japan) (JP), Kyushu University (JP)
Japan Society for the Promotion of Science
Openalex Percentile: Top 29%
Transition Metal Oxide Nanomaterials
0.61
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