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- W4386098340 abstract "Two-dimensional (2D) metal oxides have broad prospective applications in the fields of catalysis, electronic devices, sensors, and detectors. However, non-van der Waals 2D metal oxides have rarely been studied because they are hard to peel off or synthesize. In this work, taking alumina (Al2O3) as a typical representative of 2D boron group oxides, the structural stability and electrical properties of 2D Al2O3 are investigated through first-principles calculations. The thinnest Al2O3 structure is a bilayer, and the band gap of Al2O3 is found to decrease with decreasing layer thickness because of the giant surface reconstruction. The band gap of bilayer X2O3 (X = Al, Ga, and In) decreases with increasing atomic radius. Our findings provide theoretical support for the preparation of non-van der Waals 2D boron group oxide semiconductors." @default.
- W4386098340 created "2023-08-24" @default.
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- W4386098340 date "2023-08-23" @default.
- W4386098340 modified "2023-09-26" @default.
- W4386098340 title "The Possibility of Layered Non-Van Der Waals Boron Group Oxides: A First-Principles Perspective" @default.
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- W4386098340 doi "https://doi.org/10.3390/cryst13091298" @default.
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