Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity
We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at different positions within the crystalline lattic...
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2016
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| Acesso em linha: | http://dspace.utpl.edu.ec/handle/123456789/18727 |
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| author | Stashans, A. |
| author2 | Villamagua Conza, L. |
| author2_role | author |
| author_facet | Stashans, A. Villamagua Conza, L. |
| author_role | author |
| collection | Repositorio Universidad Técnica Particular de Loja |
| dc.creator.none.fl_str_mv | Stashans, A. Villamagua Conza, L. |
| dc.date.none.fl_str_mv | 2016-11-14 2017-06-16T22:02:16Z 2017-06-16T22:02:16Z 21/12/2016 |
| dc.identifier.none.fl_str_mv | doi: 10.1063/1.4968832 21583226 doi: 10.1063/1.4968832 http://dspace.utpl.edu.ec/handle/123456789/18727 |
| dc.language.none.fl_str_mv | Inglés |
| dc.publisher.none.fl_str_mv | AIP Advances |
| dc.rights.none.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.source.none.fl_str_mv | reponame:Repositorio Universidad Técnica Particular de Loja instname:Universidad Técnica Particular de Loja instacron:UTPL |
| dc.subject.none.fl_str_mv | SnO2 H-doping DFT |
| dc.title.none.fl_str_mv | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at different positions within the crystalline lattice in order to find out the equilibrium configurations and to analyze corresponding density of states (DOS) patterns along with the electron localization function (ELF). It has been demonstrated that hydrogen could be solely responsible for the n-type conductivity whereas the oxygen vacancy appears to have not a notable influence upon it. The computational analysis is backed up by some experimental data for undoped tin dioxide |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UTPL_e2ad507cf8bae73fd55be44b0135cbce |
| identifier_str_mv | doi: 10.1063/1.4968832 21583226 |
| instacron_str | UTPL |
| institution | UTPL |
| instname_str | Universidad Técnica Particular de Loja |
| language_invalid_str_mv | Inglés |
| network_acronym_str | UTPL |
| network_name_str | Repositorio Universidad Técnica Particular de Loja |
| oai_identifier_str | oai:dspace.utpl.edu.ec:123456789/18727 |
| publishDate | 2016 |
| publisher.none.fl_str_mv | AIP Advances |
| reponame_str | Repositorio Universidad Técnica Particular de Loja |
| repository.mail.fl_str_mv | . |
| repository.name.fl_str_mv | Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Loja |
| repository_id_str | 1227 |
| spelling | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivityStashans, A.Villamagua Conza, L.SnO2H-dopingDFTWe propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at different positions within the crystalline lattice in order to find out the equilibrium configurations and to analyze corresponding density of states (DOS) patterns along with the electron localization function (ELF). It has been demonstrated that hydrogen could be solely responsible for the n-type conductivity whereas the oxygen vacancy appears to have not a notable influence upon it. The computational analysis is backed up by some experimental data for undoped tin dioxideAIP Advances2017-06-16T22:02:16Z2016-11-142017-06-16T22:02:16Z21/12/2016info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articledoi: 10.1063/1.496883221583226doi: 10.1063/1.4968832http://dspace.utpl.edu.ec/handle/123456789/18727Inglésinfo:eu-repo/semantics/openAccessreponame:Repositorio Universidad Técnica Particular de Lojainstname:Universidad Técnica Particular de Lojainstacron:UTPL2017-06-16T22:02:16Zoai:dspace.utpl.edu.ec:123456789/18727Institucionalhttps://dspace.utpl.edu.ec/Institución privadahttps://www.utpl.edu.ec/https://dspace.utpl.edu.ec/oai.Ecuador...opendoar:12272017-06-16T22:02:16Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Lojafalse |
| spellingShingle | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity Stashans, A. SnO2 H-doping DFT |
| status_str | publishedVersion |
| title | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| title_full | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| title_fullStr | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| title_full_unstemmed | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| title_short | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| title_sort | Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity |
| topic | SnO2 H-doping DFT |
| url | http://dspace.utpl.edu.ec/handle/123456789/18727 |