Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO2N

Maurizia Palummo; Michele Re Fiorentin; Koichi Yamashita; Ivano E. Castelli; Giacomo Giorgi

doi:10.1021/acs.jpclett.3c00211

Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO₂N

Maurizia Palummo^*, Michele Re Fiorentin, Koichi Yamashita, Ivano E. Castelli^*, Giacomo Giorgi^*

^*Corresponding author for this work

Research output: Contribution to journal › Letter › peer-review

66 Downloads (Orbit)

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, InSnO₂N. 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 InSnO₂N for solar energy conversion processes.

Original language	English
Journal	Journal of Physical Chemistry Letters
Volume	14
Issue number	6
Pages (from-to)	1548-1555
Number of pages	8
ISSN	1948-7185
DOIs	https://doi.org/10.1021/acs.jpclett.3c00211
Publication status	Published - 2023

Access to Document

10.1021/acs.jpclett.3c00211Licence: CC BY

FulltextFinal published version, 4.26 MBLicence: CC BY

OpenUrl availability

Full text

Cite this

@article{40d04da632d64d0882cfa6db144e4989,

title = "Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO2N",

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, InSnO2N. 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 InSnO2N for solar energy conversion processes.",

author = "Maurizia Palummo and {Re Fiorentin}, Michele and Koichi Yamashita and Castelli, {Ivano E.} and Giacomo Giorgi",

year = "2023",

doi = "10.1021/acs.jpclett.3c00211",

language = "English",

volume = "14",

pages = "1548--1555",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "6",

}

TY - JOUR

T1 - Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO2N

AU - Palummo, Maurizia

AU - Re Fiorentin, Michele

AU - Yamashita, Koichi

AU - Castelli, Ivano E.

AU - Giorgi, Giacomo

PY - 2023

Y1 - 2023

N2 - 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, InSnO2N. 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 InSnO2N for solar energy conversion processes.

AB - 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, InSnO2N. 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 InSnO2N for solar energy conversion processes.

U2 - 10.1021/acs.jpclett.3c00211

DO - 10.1021/acs.jpclett.3c00211

M3 - Letter

C2 - 36745501

SN - 1948-7185

VL - 14

SP - 1548

EP - 1555

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 6

ER -