Band gap engineering of graphene through quantum confinement and edge distortions
Based on the density functional theory approach we explore the chances endured by energy gap (EG) of semiconducting (armchair) graphene nanoribbons (AGNRs) when Stone-Wales (SW) defects are placed inside their lattices. Our results show that the AGNRs, which belong to the (Formula presented.) family...
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2016
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| On-line přístup: | http://dspace.utpl.edu.ec/handle/123456789/18812 |
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Přidat tag | _version_ | 1858999309011255296 |
|---|---|
| author | Stashans, A. |
| author2 | Gomez, C. Villamagua Conza, L. Carini, M. |
| author2_role | author author author |
| author_facet | Stashans, A. Gomez, C. Villamagua Conza, L. Carini, M. |
| author_role | author |
| collection | Repositorio Universidad Técnica Particular de Loja |
| dc.creator.none.fl_str_mv | Stashans, A. Gomez, C. Villamagua Conza, L. Carini, M. |
| dc.date.none.fl_str_mv | 2016-05-06 2017-06-16T22:02:25Z 2017-06-16T22:02:25Z |
| dc.identifier.none.fl_str_mv | 10.1007/s11587-016-0278-8 355038 10.1007/s11587-016-0278-8 http://dspace.utpl.edu.ec/handle/123456789/18812 |
| dc.language.none.fl_str_mv | Inglés |
| dc.publisher.none.fl_str_mv | Ricerche di Matematica |
| 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 | Density functional theory |
| dc.title.none.fl_str_mv | Band gap engineering of graphene through quantum confinement and edge distortions |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | Based on the density functional theory approach we explore the chances endured by energy gap (EG) of semiconducting (armchair) graphene nanoribbons (AGNRs) when Stone-Wales (SW) defects are placed inside their lattices. Our results show that the AGNRs, which belong to the (Formula presented.) family experience an increase in their EG value. On the other hand, those belonging to 3m and (Formula presented.) families experience decrease in their EG. The maximum observed EG for pristine and distorted ribbons were (Formula presented.)2.6 and (Formula presented.)1.6 eV, respectively. Our results can be useful to understand the semiconducting properties of wider graphene nanoribbons which are already available experimentally. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UTPL_0ad61ef75706b4bd3ce8e957597edf08 |
| identifier_str_mv | 10.1007/s11587-016-0278-8 355038 |
| 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:123456789/18812 |
| publishDate | 2016 |
| publisher.none.fl_str_mv | Ricerche di Matematica |
| 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 | Band gap engineering of graphene through quantum confinement and edge distortionsStashans, A.Gomez, C.Villamagua Conza, L.Carini, M.Density functional theoryBased on the density functional theory approach we explore the chances endured by energy gap (EG) of semiconducting (armchair) graphene nanoribbons (AGNRs) when Stone-Wales (SW) defects are placed inside their lattices. Our results show that the AGNRs, which belong to the (Formula presented.) family experience an increase in their EG value. On the other hand, those belonging to 3m and (Formula presented.) families experience decrease in their EG. The maximum observed EG for pristine and distorted ribbons were (Formula presented.)2.6 and (Formula presented.)1.6 eV, respectively. Our results can be useful to understand the semiconducting properties of wider graphene nanoribbons which are already available experimentally.Ricerche di Matematica2017-06-16T22:02:25Z2017-06-16T22:02:25Z2016-05-06info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10.1007/s11587-016-0278-835503810.1007/s11587-016-0278-8http://dspace.utpl.edu.ec/handle/123456789/18812Inglésinfo:eu-repo/semantics/openAccessreponame:Repositorio Universidad Técnica Particular de Lojainstname:Universidad Técnica Particular de Lojainstacron:UTPL2017-06-16T22:02:25Zoai:dspace.utpl.edu.ec:123456789/18812Institucionalhttps://dspace.utpl.edu.ec/Institución privadahttps://www.utpl.edu.ec/https://dspace.utpl.edu.ec/oai.Ecuador...opendoar:12272017-06-16T22:02:25Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Lojafalse |
| spellingShingle | Band gap engineering of graphene through quantum confinement and edge distortions Stashans, A. Density functional theory |
| status_str | publishedVersion |
| title | Band gap engineering of graphene through quantum confinement and edge distortions |
| title_full | Band gap engineering of graphene through quantum confinement and edge distortions |
| title_fullStr | Band gap engineering of graphene through quantum confinement and edge distortions |
| title_full_unstemmed | Band gap engineering of graphene through quantum confinement and edge distortions |
| title_short | Band gap engineering of graphene through quantum confinement and edge distortions |
| title_sort | Band gap engineering of graphene through quantum confinement and edge distortions |
| topic | Density functional theory |
| url | http://dspace.utpl.edu.ec/handle/123456789/18812 |