Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method
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-functi...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2010
- Institución:
- Ministerio de Ciencia, Tecnología e Innovación
- Repositorio:
- Repositorio Minciencias
- Idioma:
- eng
- OAI Identifier:
- oai:repositorio.minciencias.gov.co:20.500.14143/21672
- Acceso en línea:
- https://repositorio.minciencias.gov.co/handle/20.500.14143/21672
- Palabra clave:
- Electrónica cuántica
Química física
Números cuánticos
Análisis de sistemas
Modelos matemáticos -- Algoritmos
- Rights
- License
- http://purl.org/coar/access_right/c_f1cf
| id |
RCENDOC_1b2246fd653fc8cd602ab298ecc3f847 |
|---|---|
| oai_identifier_str |
oai:repositorio.minciencias.gov.co:20.500.14143/21672 |
| network_acronym_str |
RCENDOC |
| network_name_str |
Repositorio Minciencias |
| repository_id_str |
|
| spelling |
2018-08-06T17:51:34Z2018-08-06T17:51:34Z2010-03info:eu-repo/date/embargoEnd/2024-01-31https://repositorio.minciencias.gov.co/handle/20.500.14143/2167210.1002/qua.22715A 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.Departamento Administrativo de Ciencia, Tecnología e Innovación [CO] Colciencias1106-452-21296Control cuántico de las propiedades electrónicas y de espín en nanoestructuras inorgánicas, orgánicas y biológicasnopdf8 páginasengControl 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>International Journal of Quantum Chemistry; Vol. 110; (2010); pp. 2532-2540Contiene 4 referencias bibliográficas. Véase el documento adjuntoMini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital methodArtículo científicoinfo:eu-repo/semantics/articlehttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_2df8fbb1Administradores de ciencia y tecnologíaInvestigadoresElectrónica cuánticaQuímica físicaNúmeros cuánticosAnálisis de sistemasModelos matemáticos -- Algoritmoshttp://purl.org/coar/access_right/c_f1cfMujica Martínez, Cesar A.Arce Clavijo, Julio CésarUniversidad del Valle, Univallejularce@gmail.com2011-06Programa nacional de ciencias básicasComunidad científica colombiana0284-2008Artículos de investigaciónPublicationORIGINAL1-1-1-27-art.pdf1-1-1-27-art.pdfArtículos relacionados con el proyectoapplication/pdf67769https://repositorio.minciencias.gov.co/bitstreams/a2256f88-034e-4d18-acc8-23bf1b99eea2/download17702ba3ec5823fb56ddc308dc8e967cMD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repositorio.minciencias.gov.co/bitstreams/f9576eb1-dcaf-422d-80d9-a7cc122c0527/download8a4605be74aa9ea9d79846c1fba20a33MD52TEXT1-1-1-27-art.pdf.txt1-1-1-27-art.pdf.txtExtracted texttext/plain2https://repositorio.minciencias.gov.co/bitstreams/a8c9577d-200a-4ed8-8dec-6b6cd7bf2387/downloade1c06d85ae7b8b032bef47e42e4c08f9MD55THUMBNAIL1-1-1-27-art.pdf.jpg1-1-1-27-art.pdf.jpgGenerated Thumbnailimage/jpeg17171https://repositorio.minciencias.gov.co/bitstreams/b6967e8e-58c8-405a-aca2-dccf8e7d0b98/download5c20d87a97257c94ce72d7781754b8baMD5620.500.14143/21672oai:repositorio.minciencias.gov.co:20.500.14143/216722023-11-29 17:33:09.815restrictedhttps://repositorio.minciencias.gov.coRepositorio Institucional de Mincienciascendoc@minciencias.gov.co |
| dc.title.es_CO.fl_str_mv |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| title |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| spellingShingle |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method Electrónica cuántica Química física Números cuánticos Análisis de sistemas Modelos matemáticos -- Algoritmos |
| title_short |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| title_full |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| title_fullStr |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| title_full_unstemmed |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| title_sort |
Mini-bandstructure tailoring in pi-conjugated periodic block copolymers using the envelope crystalline-orbital method |
| dc.subject.spines.es_CO.fl_str_mv |
Electrónica cuántica Química física Números cuánticos Análisis de sistemas Modelos matemáticos -- Algoritmos |
| topic |
Electrónica cuántica Química física Números cuánticos Análisis de sistemas Modelos matemáticos -- Algoritmos |
| description |
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. |
| publishDate |
2010 |
| dc.date.issued.none.fl_str_mv |
2010-03 |
| dc.date.accessioned.none.fl_str_mv |
2018-08-06T17:51:34Z |
| dc.date.available.none.fl_str_mv |
2018-08-06T17:51:34Z |
| dc.date.embargoEnd.es_CO.fl_str_mv |
info:eu-repo/date/embargoEnd/2024-01-31 |
| dc.type.es_CO.fl_str_mv |
Artículo científico |
| dc.type.coarversion.fl_str_mv |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| dc.type.coar.fl_str_mv |
http://purl.org/coar/resource_type/c_2df8fbb1 |
| dc.type.driver.es_CO.fl_str_mv |
info:eu-repo/semantics/article |
| dc.identifier.uri.none.fl_str_mv |
https://repositorio.minciencias.gov.co/handle/20.500.14143/21672 |
| dc.identifier.doi.none.fl_str_mv |
10.1002/qua.22715 |
| url |
https://repositorio.minciencias.gov.co/handle/20.500.14143/21672 |
| identifier_str_mv |
10.1002/qua.22715 |
| dc.language.iso.es_CO.fl_str_mv |
eng |
| language |
eng |
| dc.relation.ispartof.none.fl_str_mv |
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.coar.fl_str_mv |
http://purl.org/coar/access_right/c_f1cf |
| rights_invalid_str_mv |
http://purl.org/coar/access_right/c_f1cf |
| dc.format.es_CO.fl_str_mv |
pdf |
| dc.format.extent.es_CO.fl_str_mv |
8 páginas |
| dc.source.es_CO.fl_str_mv |
International Journal of Quantum Chemistry; Vol. 110; (2010); pp. 2532-2540 |
| institution |
Ministerio de Ciencia, Tecnología e Innovación |
| dc.source.bibliographicCitation.es_CO.fl_str_mv |
Contiene 4 referencias bibliográficas. Véase el documento adjunto |
| bitstream.url.fl_str_mv |
https://repositorio.minciencias.gov.co/bitstreams/a2256f88-034e-4d18-acc8-23bf1b99eea2/download https://repositorio.minciencias.gov.co/bitstreams/f9576eb1-dcaf-422d-80d9-a7cc122c0527/download https://repositorio.minciencias.gov.co/bitstreams/a8c9577d-200a-4ed8-8dec-6b6cd7bf2387/download https://repositorio.minciencias.gov.co/bitstreams/b6967e8e-58c8-405a-aca2-dccf8e7d0b98/download |
| bitstream.checksum.fl_str_mv |
17702ba3ec5823fb56ddc308dc8e967c 8a4605be74aa9ea9d79846c1fba20a33 e1c06d85ae7b8b032bef47e42e4c08f9 5c20d87a97257c94ce72d7781754b8ba |
| bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 MD5 MD5 |
| repository.name.fl_str_mv |
Repositorio Institucional de Minciencias |
| repository.mail.fl_str_mv |
cendoc@minciencias.gov.co |
| _version_ |
1811305876123811840 |