Structural and electronic changes of pentacene induced by potassium doping
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http://hdl.handle.net/10045/66647
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Campo DC | Valor | Idioma |
---|---|---|
dc.contributor | Nuevos Materiales y Catalizadores (MATCAT) | es_ES |
dc.contributor.author | Guijarro, Albert | - |
dc.contributor.author | Vergés Brotons, José Antonio | - |
dc.contributor.other | Universidad de Alicante. Departamento de Química Orgánica | es_ES |
dc.contributor.other | Universidad de Alicante. Instituto Universitario de Síntesis Orgánica | es_ES |
dc.date.accessioned | 2017-06-05T06:53:00Z | - |
dc.date.available | 2017-06-05T06:53:00Z | - |
dc.date.issued | 2017-04-24 | - |
dc.identifier.citation | Phys. Rev. B 95, 134112. doi:10.1103/PhysRevB.95.134112 | es_ES |
dc.identifier.issn | 1098-0121 (Print) | - |
dc.identifier.issn | 1550-235X (Online) | - |
dc.identifier.uri | http://hdl.handle.net/10045/66647 | - |
dc.description.abstract | Potassium is introduced into the crystalline herringbone structure of pentacene searching for a compound showing metallic electronic transport properties and, hopefully, superconductivity at small enough temperatures. Several possible structures for stoichiometric KPentacene (1:1), K2Pentacene (2:1), and K3Pentacene (3:1) compounds are theoretically investigated. Detailed densities of states for all of them are presented. As a more prominent result, a new monoclinic structure has been stabilized for the potassium richer material that could correspond to the recently synthesized superconducting phase of K3Pentacene. Although energetically unfavorable, it is the only metallic candidate found to date. | es_ES |
dc.description.sponsorship | Financial support by the Spanish Ministry of Economy and Competitiveness (Grants No. FIS2015-64222-C2-1-P and No. MAT2016-78625-C2-2-P) and the University of Alicante is gratefully acknowledged. | es_ES |
dc.language | eng | es_ES |
dc.publisher | American Physical Society | es_ES |
dc.rights | ©2017 American Physical Society | es_ES |
dc.subject | Pentacene | es_ES |
dc.subject | Potassium intercalation | es_ES |
dc.subject | Metallic phase | es_ES |
dc.subject.other | Química Orgánica | es_ES |
dc.title | Structural and electronic changes of pentacene induced by potassium doping | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.peerreviewed | si | es_ES |
dc.identifier.doi | 10.1103/PhysRevB.95.134112 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevB.95.134112 | es_ES |
dc.identifier.cvID | A9016214 | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es_ES |
Aparece en las colecciones: | INV - MATCAT - Artículos de Revistas |
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Archivo | Descripción | Tamaño | Formato | |
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Guijarro_Verges_PhysRevB_2017_Potassium_doped_Pentacene.pdf | 1,86 MB | Adobe PDF | Abrir Vista previa | |
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