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InSnON 氧氮化物锡基半导体的极和非极性多晶型体的光电特性研究。

Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnON.

机构信息

Department of Physics & INFN, Universitá di Roma "Tor Vergata," Via della Ricerca Scientifica 1, 00133 Roma, Italy.

Department of Applied Science and Technology, Politecnico di Torino, corso Duca degli Abruzzi 24, 10129 Torino, Italy.

出版信息

J Phys Chem Lett. 2023 Feb 16;14(6):1548-1555. doi: 10.1021/acs.jpclett.3c00211. Epub 2023 Feb 6.

DOI:10.1021/acs.jpclett.3c00211
PMID:36745501
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9940202/
Abstract

In view of its potential applicability in photoconversion processes, we here discuss the optoelectronic features of the recently proposed tin-based oxynitride material for (photo)catalysis, InSnON. In detail, by combining Density Functional and Many-Body Perturbation Theory, we compute the electronic and optical properties discussing how they vary from the nonpolar phase to the more stable polar one. After providing a detailed, unbiased, description of the optoelectronic features of the two phases, we have finally calculated the Spectroscopic Limited Maximum Efficiency and obtained data that further witness the relevance of InSnON for solar energy conversion processes.

摘要

鉴于其在光转化过程中的潜在适用性，我们在这里讨论了最近提出的用于（光）催化的锡基氮氧化物材料 InSnON 的光电特性。具体而言，我们通过结合密度泛函和多体微扰理论，计算了电子和光学性质，并讨论了它们如何从非极性相到更稳定的极性相变化。在对这两个相的光电特性进行详细、公正的描述之后，我们最终计算了光谱限制最大效率，并获得了进一步证明 InSnON 对太阳能转换过程具有重要意义的数据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/4fa6ccbfd054/jz3c00211_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/a086755d1e1b/jz3c00211_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/c291c5b7a644/jz3c00211_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/734e12548c82/jz3c00211_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/c089e350e1fd/jz3c00211_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/4fa6ccbfd054/jz3c00211_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/a086755d1e1b/jz3c00211_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/c291c5b7a644/jz3c00211_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/734e12548c82/jz3c00211_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/c089e350e1fd/jz3c00211_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9ca2/9940202/4fa6ccbfd054/jz3c00211_0005.jpg

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