Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Assessing the electrochemical properties of polypyridine and polythiophene for prospective applications in sustainable organic batteries
Vise andre og tillknytning
2017 (engelsk)Inngår i: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, nr 4, s. 3307-3314Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Conducting polymers are being considered promising candidates for sustainable organic batteries mainly due to their fast electron transport properties and high recyclability. In this work, the key properties of polythiophene and polypyridine have been assessed through a combined theoretical and experimental study focusing on such applications. A theoretical protocol has been developed to calculate redox potentials in solution within the framework of the density functional theory and using continuous solvation models. Here, the evolution of the electrochemical properties of solvated oligomers as a function of the length of the chain is analyzed and then the polymer properties are estimated via linear regressions using ordinary least square. The predicted values were verified against our electrochemical experiments. This protocol can now be employed to screen a large database of compounds in order to identify organic electrodes with superior properties.

sted, utgiver, år, opplag, sider
Royal Society of Chemistry, 2017. Vol. 19, nr 4, s. 3307-3314
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-204748DOI: 10.1039/c6cp07435aISI: 000394940400071PubMedID: 28091636Scopus ID: 2-s2.0-85010676931OAI: oai:DiVA.org:kth-204748DiVA, id: diva2:1104343
Forskningsfinansiär
Swedish Foundation for Strategic Research Swedish Energy AgencyStandUpSwedish Research Council
Merknad

QC 20170601

Tilgjengelig fra: 2017-06-01 Laget: 2017-06-01 Sist oppdatert: 2017-06-01bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Andre lenker

Forlagets fulltekstPubMedScopus

Personposter BETA

Ahuja, Rajeev

Søk i DiVA

Av forfatter/redaktør
Ahuja, Rajeev
Av organisasjonen
I samme tidsskrift
Physical Chemistry, Chemical Physics - PCCP

Søk utenfor DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric

doi
pubmed
urn-nbn
Totalt: 177 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf