A Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends

Handle URI:
http://hdl.handle.net/10754/550712
Title:
A Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends
Authors:
Tummala, Naga Rajesh; Bruner, Christopher; Risko, Chad; Bredas, Jean-Luc ( 0000-0001-7278-4471 ) ; Dauskardt, Reinhold H.
Abstract:
Quantifying cohesion and understanding fracture phenomena in thin-film electronic devices are necessary for improved materials design and processing criteria. For organic photovoltaics (OPVs), the cohesion of the photoactive layer portends its mechanical flexibility, reliability, and lifetime. Here, the molecular mechanism for the initiation of cohesive failure in bulk heterojunction (BHJ) OPV active layers derived from the semiconducting polymer poly-(3-hexylthiophene) [P3HT] and two mono-substituted fullerenes is examined experimentally and through molecular-dynamics simulations. The results detail how, under identical conditions, cohesion significantly changes due to minor variations in the fullerene adduct functionality, an important materials consideration that needs to be taken into account across fields where soluble fullerene derivatives are used.
KAUST Department:
Solar and Photovoltaic Engineering Research Center
Citation:
A Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends 2015:150421065231008 ACS Applied Materials & Interfaces
Publisher:
American Chemical Society
Journal:
ACS Applied Materials & Interfaces
Issue Date:
21-Apr-2015
DOI:
10.1021/acsami.5b02202
Type:
Article
ISSN:
1944-8244; 1944-8252
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/acsami.5b02202
Appears in Collections:
Articles; Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorTummala, Naga Rajeshen
dc.contributor.authorBruner, Christopheren
dc.contributor.authorRisko, Chaden
dc.contributor.authorBredas, Jean-Lucen
dc.contributor.authorDauskardt, Reinhold H.en
dc.date.accessioned2015-04-27T16:23:56Zen
dc.date.available2015-04-27T16:23:56Zen
dc.date.issued2015-04-21en
dc.identifier.citationA Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends 2015:150421065231008 ACS Applied Materials & Interfacesen
dc.identifier.issn1944-8244en
dc.identifier.issn1944-8252en
dc.identifier.doi10.1021/acsami.5b02202en
dc.identifier.urihttp://hdl.handle.net/10754/550712en
dc.description.abstractQuantifying cohesion and understanding fracture phenomena in thin-film electronic devices are necessary for improved materials design and processing criteria. For organic photovoltaics (OPVs), the cohesion of the photoactive layer portends its mechanical flexibility, reliability, and lifetime. Here, the molecular mechanism for the initiation of cohesive failure in bulk heterojunction (BHJ) OPV active layers derived from the semiconducting polymer poly-(3-hexylthiophene) [P3HT] and two mono-substituted fullerenes is examined experimentally and through molecular-dynamics simulations. The results detail how, under identical conditions, cohesion significantly changes due to minor variations in the fullerene adduct functionality, an important materials consideration that needs to be taken into account across fields where soluble fullerene derivatives are used.en
dc.publisherAmerican Chemical Societyen
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acsami.5b02202en
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acsami.5b02202.en
dc.subjectcohesion and fractureen
dc.subjectP3HT polymeren
dc.subjectsubs tituted fullerenesen
dc.subjectsolar cellsen
dc.subjectthin films,en
dc.subjectmolecular dynamicsen
dc.titleA Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blendsen
dc.typeArticleen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Centeren
dc.identifier.journalACS Applied Materials & Interfacesen
dc.eprint.versionPost-printen
dc.contributor.institutionSchool of Chemistry and Biochemistry & Center for Organic Photonics and Electronics Georgia Institute of Technology, Atlanta, Georgia 30332-0400en
dc.contributor.institutionDepartment of Materials Science and Engineering Stanford University, Palo Alto, California 94305-4034en
dc.contributor.institutionDepartment of Chemistry & Center for Applied Energ y Research (CAER) University of Kentucky, Lexington, Kentucky 40506-0055en
kaust.authorBredas, Jean-Lucen
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