一类在压力下具有新颖电子和光学性质的二维WSeTe单层材料

Q3 Biochemistry, Genetics and Molecular Biology Turkish Computational and Theoretical Chemistry Pub Date : 2023-05-15 DOI:10.33435/tcandtc.1161253
Idrees Orei̇bi̇, Jassim M. AL-ISSAWE
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引用次数: 0

摘要

利用基于dft的第一性原理模拟,已经在高达9 GPa的不同静水压力下评估了WSeTe单层的电子和光学特性。在所有压力下,材料都是半导电的,带隙变小。光学功能的测试表明,当我们向紫色区域行进时,WSeTe单层的吸收和导电性显着增加,使其在太阳能电池中有用。由于施加的压力,所有光学质量都增加了。我们认为,WSeTe单层具有非凡的光伏特性,在光学器件中具有许多应用。
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A class of two-dimensional WSeTe monolayers under pressures with novel electronic and optical properties
The electronic and optical properties of the WSeTe monolayer have already been evaluated at different hydrostatic pressures up to 9 GPa using a first principles simulation based on dft. At all pressures, the material is semi-conductive and the band gap narrows. The examination of optical functions demonstrates that the WSeTe monolayer's absorption increases significantly as we travel towards the violet region as well as conductivity, making it useful in solar cells. All optical qualities increase as a result of the applied pressure. We contend that the extraordinary photovoltaic properties of the WSeTe monolayer have many applications in optical devices.
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来源期刊
Turkish Computational and Theoretical Chemistry
Turkish Computational and Theoretical Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)
CiteScore
2.40
自引率
0.00%
发文量
4
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