Cargando…
Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field
Using first-principles calculations, we investigate the adsorption of various gas molecules (H(2), O(2), H(2)O, NH(3), NO, NO(2), and CO) on monolayer MoS(2). The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4015638/ https://www.ncbi.nlm.nih.gov/pubmed/24134512 http://dx.doi.org/10.1186/1556-276X-8-425 |
_version_ | 1782315367880720384 |
---|---|
author | Yue, Qu Shao, Zhengzheng Chang, Shengli Li, Jingbo |
author_facet | Yue, Qu Shao, Zhengzheng Chang, Shengli Li, Jingbo |
author_sort | Yue, Qu |
collection | PubMed |
description | Using first-principles calculations, we investigate the adsorption of various gas molecules (H(2), O(2), H(2)O, NH(3), NO, NO(2), and CO) on monolayer MoS(2). The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly adsorbed on the monolayer MoS(2) surface and act as charge acceptors for the monolayer, except NH(3) which is found to be a charge donor. Furthermore, we show that charge transfer between the adsorbed molecule and MoS(2) can be significantly modulated by a perpendicular electric field. Our theoretical results are consistent with the recent experiments and suggest MoS(2) as a potential material for gas sensing application. |
format | Online Article Text |
id | pubmed-4015638 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | Springer |
record_format | MEDLINE/PubMed |
spelling | pubmed-40156382014-05-23 Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field Yue, Qu Shao, Zhengzheng Chang, Shengli Li, Jingbo Nanoscale Res Lett Nano Express Using first-principles calculations, we investigate the adsorption of various gas molecules (H(2), O(2), H(2)O, NH(3), NO, NO(2), and CO) on monolayer MoS(2). The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly adsorbed on the monolayer MoS(2) surface and act as charge acceptors for the monolayer, except NH(3) which is found to be a charge donor. Furthermore, we show that charge transfer between the adsorbed molecule and MoS(2) can be significantly modulated by a perpendicular electric field. Our theoretical results are consistent with the recent experiments and suggest MoS(2) as a potential material for gas sensing application. Springer 2013-10-17 /pmc/articles/PMC4015638/ /pubmed/24134512 http://dx.doi.org/10.1186/1556-276X-8-425 Text en Copyright © 2013 Yue et al.; licensee Springer. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Nano Express Yue, Qu Shao, Zhengzheng Chang, Shengli Li, Jingbo Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title | Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title_full | Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title_fullStr | Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title_full_unstemmed | Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title_short | Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field |
title_sort | adsorption of gas molecules on monolayer mos(2) and effect of applied electric field |
topic | Nano Express |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4015638/ https://www.ncbi.nlm.nih.gov/pubmed/24134512 http://dx.doi.org/10.1186/1556-276X-8-425 |
work_keys_str_mv | AT yuequ adsorptionofgasmoleculesonmonolayermos2andeffectofappliedelectricfield AT shaozhengzheng adsorptionofgasmoleculesonmonolayermos2andeffectofappliedelectricfield AT changshengli adsorptionofgasmoleculesonmonolayermos2andeffectofappliedelectricfield AT lijingbo adsorptionofgasmoleculesonmonolayermos2andeffectofappliedelectricfield |