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Defect Engineering Centrosymmetric 2D Material Flexocatalysts
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Defect Engineering Centrosymmetric 2D Material Flexocatalysts

Yu-Ching Chen, Po-Han Chen, Yin-Song Liao, Jyh-Pin ChouJyh Ming Wu
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2024

摘要

2D materials centrosymmetric defect Engineering flexocatalysts Biotechnology Chemistry (all) Biomaterials Materials Science (all) Engineering (miscellaneous)
In this study, the flexoelectric characteristics of 2D TiO 2 nanosheets are examined. The theoretical calculations and experimental results reveal an excellent strain-induced flexoelectric potential (flexopotential) by an effective defect engineering strategy, which suppresses the recombination of electron–hole pairs, thus substantially improving the catalytic activity of the TiO 2 nanosheets in the degradation of Rhodamine B dye and the hydrogen evolution reaction in a dark environment. The results indicate that strain-induced bandgap reduction enhances the catalytic activity of the TiO 2 nanosheets. In addition, the TiO 2 nanosheets degraded Rhodamine B, with k obs being ≈1.5 × 10 −2 min −1 in dark, while TiO 2 nanoparticles show only an adsorption effect. 2D TiO 2 nanosheets achieve a hydrogen production rate of 137.9 µmol g −1 h −1 under a dark environment, 197% higher than those of TiO 2 nanoparticles (70.1 µmol g −1 h −1 ). The flexopotential of the TiO 2 nanosheets is enhanced by increasing the bending moment, with excellent flexopotential along the y-axis. Density functional theory is used to identify the stress-induced bandgap reduction and oxygen vacancy formation, which results in the self-dissociation of H 2 O on the surface of the TiO in the dark. The present findings provide novel insights into the role of TiO 2 flexocatalysis in electrochemical reactions.

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