关于 4H-32SiC 作为光伏电池能量转换材料的时间相关特性的第一性原理研究

Xiaoyi Li, Jingbin Lu, Xinrui Liu, Yu Zhang, Yuxin Liu, Yuehui Zhang, Fubo Tian
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引用次数: 0

摘要

放射性 4H-32SiC 被用作制造高性能光伏电池的能量转换材料。研究考虑了与时间相关的组分变化,并通过密度泛函理论(DFT)计算了结构、稳定性和电性能的变化。随着时间的推移,32Si 原子的数量呈指数级减少,而 32S 的浓度则逐渐增加。Si63PC64 构型的晶格常数较小,而 Si62PSC64 构型的晶格常数较大。所有 Si63PC64 和 Si62PSC64 配置的带隙都非常小,这表明它们具有金属特性。这表明,使用 4H-32SiC 的光伏电池很可能随着时间的推移转变为肖特基二极管。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
First principles study on the time-related properties of 4H-32SiC as energy converting material of betavoltaic battery
The radioactive 4H-32SiC is applied as energy converting material to fabricate high performance betavoltaic batteries. The time-related component change is considered, and the structural, stability and electrical property changes are calculated by Density Functional Theory (DFT). As time goes by, the number of 32Si atoms decrease exponentially while the concentration of 32S increases gradually. The Si63PC64 configurations have smaller lattice constants, while the lattices of Si62PSC64 configurations are larger. All Si63PC64 and Si62PSC64 configurations have very small bandgaps indicating the metallic behavior. This suggests that the betavoltaic battery with 4H-32SiC is likely to transform into a Schottky diode over time.
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