Three-Dimensional Packing Structure and Electronic Properties of Biaxially Oriented Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) Films.
We use a systematic approach that combines experimental X-ray diffraction (XRD) and computational modeling based on molecular mechanics and two-dimensional XRD simulations to develop a detailed model of the molecular-scale packing structure of poly(2,5-bis (3-tetradecylthiophene-2-yl)thieno[3,2-b]th...
| Publicado en: | Journal of the American Chemical Society Vol. 134; no. 14; pp. 6177 - 6191 |
|---|---|
| Autores principales: | , , , , , , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
4/11/2012
|
| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=75187914&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 75187914 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 4/11/2012 vid: 134 iid: 14 pid: 997 pub: American Chemical Society artinfo: ui: 75187914 10.1021/ja210272z ppf: 6177 ppct: 14 formats: tig: atl: Three-Dimensional Packing Structure and Electronic Properties of Biaxially Oriented Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) Films. aug: au: Eunkyung Cho Risko, Chad Dongwook Kim Gysel, Roman Miller, Nichole Cates Breiby, Dag W. McGehee, Michael D. Toney, Michael F. Kline, R. Joseph Bredas, Jean-Luc affil: School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332, United States School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, United States Department of Physics, Norwegian University of Science and Technology, Høgskoleringen 5, N-7491 Trondheim, Norway Stanford Synchrotron Radiation Lightsource, Menlo Park, California 94025, United States Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States su: Polymer film analysis X-ray diffraction Organic electronics Thiophenes Thin film crystallography sug: subj: Polymer film analysis X-ray diffraction Organic electronics Thiophenes Thin film crystallography ab: We use a systematic approach that combines experimental X-ray diffraction (XRD) and computational modeling based on molecular mechanics and two-dimensional XRD simulations to develop a detailed model of the molecular-scale packing structure of poly(2,5-bis (3-tetradecylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT-C) films. Both uniaxially and biaxially aligned films are used in this comparison and lead to an improved understanding of the molecular-scale orientation and crystal structure. We then examine how individual polymer components (i.e., conjugated backbone and alkyl side chains) contribute to the complete diffraction pattern, and how modest changes to a particular component orientation (e.g., backbone or side-chain tilt) influence the diffraction pattern. The effects on the polymer crystal structure of varying the alkyl side-chain length from C to C and C are also studied. The accurate determination of the three-dimensional polymer structure allows us to examine the PBTTT electronic band structure and intermolecular electronic couplings (transfer integrals) as a function of alkyl side-chain length. This combination of theoretical and experimental techniques proves to be an important tool to help establish the relationship between the structural and electronic properties of polymer thin films. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2012 holdings: @attributes: islocal: N |
|---|