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首页> 外文期刊>RSC Advances >High stability and visible-light photocatalysis in novel two-dimensional monolayer silicon and germanium mononitride semiconductors: first-principles study
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High stability and visible-light photocatalysis in novel two-dimensional monolayer silicon and germanium mononitride semiconductors: first-principles study

机译：新型二维单层硅的高稳定性和可见光光催化和单克里克里锗半导体：第一原理研究

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摘要

Recently, two-dimensional semiconductor materials with moderate band gaps and significant light absorption have been highly sought for application in photocatalysis and nanoelectronics. In this study, novel monolayer SiN and GeN have been predicted by using first-principles calculations. They have excellent thermal and dynamic stabilities and present indirect band gaps of 2.58 eV and 2.21 eV with anisotropic carrier mobility, respectively. Suitable band gaps and band edges of SiN and GeN indicate that they can simultaneously produce both hydrogen and oxygen in the pH range of 6 to 14 and 0 to 10, respectively. Theoretical studies on strain engineering show that their band gaps could be effectively tuned by both biaxial tensile and compressive strain. Our work enriches the family of two-dimensional semiconductor materials and shows that monolayer SiN and GeN are promising candidates for electronic devices and photocatalysis.
机译：近来，在光催化和纳米电子中，高度寻求具有中等带间隙和显着光吸收的二维半导体材料。在这项研究中，通过使用第一原理计算预测了新的单层SIN和GEN。它们具有出色的热和动态稳定性，并分别存在2.58eV的间接带间隙，分别具有各向异性载流动性的2.21eV。 SIN和GEN的合适带间隙和带边缘表明它们可以同时在6至14和0至10的pH范围内同时产生氢气和氧。应变工程的理论研究表明，双轴拉伸和压缩菌株可以有效地调整其带隙。我们的工作丰富了二维半导体材料的系列，并表明单层SIN和Gen是电子设备和光催化的承诺候选人。

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