Publication: Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method
| col.comunidadvinculada | Comunidad científica colombiana | es_CO |
| col.contrato | 0284-2008 | es_CO |
| col.date.proyecto | 2011-06 | |
| col.programa.colciencias | Programa nacional de ciencias básicas | es_CO |
| col.tipo.esp | Artículos de investigación | es_CO |
| dc.audience | Administradores de ciencia y tecnología | es_CO |
| dc.audience | Investigadores | es_CO |
| dc.creator | Mujica Martínez, Cesar A. | |
| dc.creator | Arce Clavijo, Julio César | |
| dc.creator.corporativo | Universidad del Valle, Univalle | es_CO |
| dc.creator.mail | jularce@gmail.com | es_CO |
| dc.date.accessioned | 2018-08-06T17:51:34Z | |
| dc.date.available | 2018-08-06T17:51:34Z | |
| dc.date.embargoEnd | info:eu-repo/date/embargoEnd/2024-01-31 | es_CO |
| dc.date.issued | 2010-03 | |
| dc.description.abstract | A strategy for the systematic design of polymeric superlattices with tailor-made mini-bandgaps and carrier mini-effective masses is described and computationally implemented by means of an envelope crystalline-orbital method, which is a straightforward adaptation for molecules of the envelope-function approximation widely used in solid-state physics. Such strategy relies on the construction of pi-conjugated periodic block copolymers from well-characterized parent polymers, in such a way that the above-mentioned electronic parameters can be predicted from the lengths of the blocks. Illustrative calculations for prototypical (PPP_x-PDA_y)_n superlattices demonstrate the plausibility of the strategy and the advantages of the computational implementation used. | es_CO |
| dc.description.isproject | no | es_CO |
| dc.description.projectid | 1106-452-21296 | es_CO |
| dc.description.projectname | Control cuántico de las propiedades electrónicas y de espín en nanoestructuras inorgánicas, orgánicas y biológicas | es_CO |
| dc.description.sponsorship | Departamento Administrativo de Ciencia, Tecnología e Innovación [CO] Colciencias | es_CO |
| dc.format | es_CO | |
| dc.format.extent | 8 páginas | es_CO |
| dc.identifier.doi | 10.1002/qua.22715 | |
| dc.identifier.uri | https://repositorio.minciencias.gov.co/handle/20.500.14143/21672 | |
| dc.language.iso | eng | es_CO |
| dc.relation.ispartof | Control cuántico de las propiedades electrónicas y de espín en nanoestructuras inorgánicas, orgánicas y biológicas. La publicación completa está disponible en : <a href="http://repositorio.colciencias.gov.co:80/handle/11146/18424" target="blank">http://repositorio.colciencias.gov.co:80/handle/11146/18424</a> | |
| dc.rights | info:eu-repo/semantics/embargoedAccess | es_CO |
| dc.source | International Journal of Quantum Chemistry; Vol. 110; (2010); pp. 2532-2540 | es_CO |
| dc.source.bibliographicCitation | Contiene 4 referencias bibliográficas. Véase el documento adjunto | es_CO |
| dc.subject.spines | Electrónica cuántica | es_CO |
| dc.subject.spines | Química física | es_CO |
| dc.subject.spines | Números cuánticos | es_CO |
| dc.subject.spines | Análisis de sistemas | es_CO |
| dc.subject.spines | Modelos matemáticos -- Algoritmos | es_CO |
| dc.title | Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method | es_CO |
| dc.type | Artículo científico | es_CO |
| dc.type.driver | info:eu-repo/semantics/article | es_CO |
| dc.type.hasversion | info:eu-repo/semantics/publishedVersion | es_CO |
| dspace.entity.type | Publication |