uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Unraveling factors leading to efficient norbornadiene-quadricyclane molecular solar-thermal energy storage systems
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC. Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics.
Chalmers, Dept Chem & Chem Engn, Kemigarden 4, SE-41296 Gothenburg, Sweden..
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Nanotechnology and Functional Materials.ORCID iD: 0000-0002-4726-4121
Univ Girona, Dept Quim, IQCC, Campus Montilivi, Girona 17003, Spain..
Show others and affiliations
2017 (English)In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 5, no 24, 12369-12378 p.Article in journal (Refereed) Published
Abstract [en]

Developing norbornadiene-quadricyclane (NBD-QC) systems for molecular solar-thermal (MOST) energy storage is often a process of trial and error. By studying a series of norbornadienes (NBD-R-2) doubly substituted at the C7-position with R = H, Me, and iPr, we untangle the interrelated factors affecting MOST performance through a combination of experiment and theory. Increasing the steric bulk along the NBD-R-2 series gave higher quantum yields, slightly red-shifted absorptions, and longer thermal lifetimes of the energy-rich QC isomer. However, these advantages are counterbalanced by lower energy storage capacities, and overall R = Me appears most promising for short-term MOST applications. Computationally we find that it is the destabilization of the NBD isomer over the QC isomer with increasing steric bulk that is responsible for most of the observed trends and we can also predict the relative quantum yields by characterizing the S-1/S-0 conical intersections. The significantly increased thermal half-life of NBD-iPr(2) is caused by a higher activation entropy, highlighting a novel strategy to improve thermal half-lives of MOST compounds and other photo-switchable molecules without affecting their electronic properties. The potential of the NBD-R-2 compounds in devices is also explored, demonstrating a solar energy storage efficiency of up to 0.2%. Finally, we show how the insights gained in this study can be used to identify strategies to improve already existing NBD-QC systems.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY , 2017. Vol. 5, no 24, 12369-12378 p.
National Category
Chemical Sciences Engineering and Technology Nano Technology
Research subject
Engineering Science with specialization in Nanotechnology and Functional Materials
Identifiers
URN: urn:nbn:se:uu:diva-329636DOI: 10.1039/c7ta04259kISI: 000403664800043OAI: oai:DiVA.org:uu-329636DiVA: diva2:1143601
Funder
Swedish Research Council, 2015-04538, 2011-04177, 2012-3910, 2016-03398Knut and Alice Wallenberg FoundationSwedish Foundation for Strategic Research Ragnar Söderbergs stiftelse
Available from: 2017-09-21 Created: 2017-09-21 Last updated: 2017-12-08Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Jorner, KjellEmanuelsson, RikardFernández Galván, IgnacioLindh, RolandZietz, BurkhardOttosson, Henrik

Search in DiVA

By author/editor
Jorner, KjellEmanuelsson, RikardFernández Galván, IgnacioLindh, RolandZietz, BurkhardOttosson, Henrik
By organisation
Department of Chemistry - BMCMolecular BiomimeticsNanotechnology and Functional MaterialsTheoretical ChemistryPhysical Chemistry
In the same journal
Journal of Materials Chemistry A
Chemical SciencesEngineering and TechnologyNano Technology

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 171 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf