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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.

SUBMITTER: Palummo M

PROVIDER: S-EPMC9940202 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature

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

Palummo Maurizia M Re Fiorentin Michele M Yamashita Koichi K Castelli Ivano E IE Giorgi Giacomo G

The journal of physical chemistry letters 20230206 6

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 ...[more]

PMID: 36745501

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