Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase.,Faraday Discussions

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Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase.
Faraday Discussions ( IF 3.3 ) Pub Date : 2019-10-22 , DOI: 10.1039/c9fd00085b
Stefano Ossicini ₁ , Ivan Marri , Michele Amato , Maurizia Palummo , Enric Canadell , Riccardo Rurali

Affiliation

Silicon nanocrystals and nanowires have been extensively studied because of their novel properties and their applications in electronic, optoelectronic, photovoltaic, thermoelectric and biological devices. Here we discuss results from ab initio calculations for undoped and doped Si nanocrystals and nanowires, showing how theory can aid and improve comprehension of the structural, electronic and optical properties of these systems.

中文翻译：

从头开始研究未掺杂和掺杂的硅纳米晶体和纳米线的光电结构：尺寸，钝化，对称性和相位的作用。

硅纳米晶体和纳米线由于其新颖的特性及其在电子，光电，光伏，热电和生物设备中的应用而得到了广泛的研究。在这里，我们讨论了从无到有和有掺杂的Si纳米晶体和纳米线的从头算的结果，显示了理论如何帮助和改善对这些系统的结构，电子和光学特性的理解。

更新日期：2019-10-22

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