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
Designing strategies to tune reduction potential of organic molecules for sustainable high capacity battery application
Vise andre og tillknytning
2017 (engelsk)Inngår i: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 5, nr 9, s. 4430-4454Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Organic compounds evolve as a promising alternative to currently used inorganic materials in rechargeable batteries due to their low-cost, environmental friendliness and flexibility. One of the strategies to reach acceptable energy densities and to deal with the high solubility of known organic compounds is to combine small redox active molecules, acting as capacity carrying centres, with conducting polymers. Following this strategy, it is important to achieve redox matching between the chosen molecule and the polymer backbone. Here, a synergetic approach combining theory and experiment has been employed to investigate this strategy. The framework of the density functional theory connected with the reaction field method has been applied to predict the formal potential of 137 molecules and identify promising candidates for the referent application. The effects of including different ring types, e.g. fused rings or bonded rings, heteroatoms, and pi bonds, as well as carboxyl groups on the formal potential, have been rationalized. Finally, we have identified a number of molecules with acceptable theoretical capacities that show redox matching with thiophene-based conducting polymers which, hence, are suggested as pendent groups for the development of conducting redox polymer based electrode materials.

sted, utgiver, år, opplag, sider
Royal Society of Chemistry, 2017. Vol. 5, nr 9, s. 4430-4454
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-204744DOI: 10.1039/c6ta09760jISI: 000395926100022Scopus ID: 2-s2.0-85014153660OAI: oai:DiVA.org:kth-204744DiVA, id: diva2:1104359
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 fulltekstScopus

Personposter BETA

Ahuja, Rajeev

Søk i DiVA

Av forfatter/redaktør
Ahuja, Rajeev
Av organisasjonen
I samme tidsskrift
Journal of Materials Chemistry A

Søk utenfor DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric

doi
urn-nbn
Totalt: 149 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