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Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe

The toxic gas carbon monoxide (CO) is fatal to human beings and it is hard to detect because of its colorless and odorless properties. Fortunately, the high surface-to-volume ratio of the gas makes two-dimensional (2D) materials good candidates for gas sensing. This article investigates CO sensing e...

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Autores principales: Huang, Hsin-Pan, Fuh, Huei-Ru, Chang, Ching-Ray
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7915681/
https://www.ncbi.nlm.nih.gov/pubmed/33557262
http://dx.doi.org/10.3390/molecules26040812
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author Huang, Hsin-Pan
Fuh, Huei-Ru
Chang, Ching-Ray
author_facet Huang, Hsin-Pan
Fuh, Huei-Ru
Chang, Ching-Ray
author_sort Huang, Hsin-Pan
collection PubMed
description The toxic gas carbon monoxide (CO) is fatal to human beings and it is hard to detect because of its colorless and odorless properties. Fortunately, the high surface-to-volume ratio of the gas makes two-dimensional (2D) materials good candidates for gas sensing. This article investigates CO sensing efficiency with a two-dimensional monolayer of gallium selenide (GaSe) via the vacancy defect and strain effect. According to the computational results, defective GaSe structures with a Se vacancy have a better performance in CO sensing than pristine ones. Moreover, the adsorption energy gradually increases with the scale of tensile strain in defective structures. The largest adsorption energy reached −1.5 eV and the largest charger transfer was about −0.77 e. Additionally, the CO gas molecule was deeply dragged into the GaSe surface. We conclude that the vacancy defect and strain effect transfer GaSe to a relatively unstable state and, therefore, enhance CO sensitivity. The adsorption rate can be controlled by adjusting the strain scale. This significant discovery makes the monolayer form of GaSe a promising candidate in CO sensing. Furthermore, it reveals the possibility of the application of CO adsorption, transportation, and releasement.
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spelling pubmed-79156812021-03-01 Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe Huang, Hsin-Pan Fuh, Huei-Ru Chang, Ching-Ray Molecules Article The toxic gas carbon monoxide (CO) is fatal to human beings and it is hard to detect because of its colorless and odorless properties. Fortunately, the high surface-to-volume ratio of the gas makes two-dimensional (2D) materials good candidates for gas sensing. This article investigates CO sensing efficiency with a two-dimensional monolayer of gallium selenide (GaSe) via the vacancy defect and strain effect. According to the computational results, defective GaSe structures with a Se vacancy have a better performance in CO sensing than pristine ones. Moreover, the adsorption energy gradually increases with the scale of tensile strain in defective structures. The largest adsorption energy reached −1.5 eV and the largest charger transfer was about −0.77 e. Additionally, the CO gas molecule was deeply dragged into the GaSe surface. We conclude that the vacancy defect and strain effect transfer GaSe to a relatively unstable state and, therefore, enhance CO sensitivity. The adsorption rate can be controlled by adjusting the strain scale. This significant discovery makes the monolayer form of GaSe a promising candidate in CO sensing. Furthermore, it reveals the possibility of the application of CO adsorption, transportation, and releasement. MDPI 2021-02-04 /pmc/articles/PMC7915681/ /pubmed/33557262 http://dx.doi.org/10.3390/molecules26040812 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Huang, Hsin-Pan
Fuh, Huei-Ru
Chang, Ching-Ray
Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title_full Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title_fullStr Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title_full_unstemmed Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title_short Enhanced Sensitivity of CO on Two-Dimensional, Strained, and Defective GaSe
title_sort enhanced sensitivity of co on two-dimensional, strained, and defective gase
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7915681/
https://www.ncbi.nlm.nih.gov/pubmed/33557262
http://dx.doi.org/10.3390/molecules26040812
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