Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers

Journal of Physics. Condensed Matter : an Institute of Physics Journal
Amanda J NeukirchJames P Lewis

Abstract

Recently, we used a local orbital density functional theory code called FIREBALL, to study the photoisomerization process in azobenzene derivatives for solar energy materials. Azobenzene functional groups undergo photoisomerization upon light irradiation or application of heat. Zhou et al (2012 J. Am. Chem. Soc. 134 99-102) showed that these azobenzenes can then be introduced into metal-organic frameworks via an organic linker in order to create a reversible switch for CO2 adsorption. In this manuscript, we examined how the addition of organic linkers (isophthalic acid) changes the relaxation times, isomerization mechanism, and quantum yield for both the cis↔trans pathways. We then tuned these properties by substituting functional groups, finding an increase in quantum yield as well as improved optical properties.

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Citations

Sep 24, 2016·The Journal of Physical Chemistry. a·Judah S HighElena Jakubikova
Jun 18, 2017·The Journal of Physical Chemistry Letters·Yulun HanDmitri S Kilin
Nov 9, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Ekadashi PradhanAlexey V Akimov
Mar 15, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Alexey V Akimov, Oleg V Prezhdo
Dec 14, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·David A Strubbe, Jeffrey C Grossman
Dec 14, 2017·Journal of the American Chemical Society·Pedram TavadzeJames P Lewis
Jul 14, 2018·The Journal of Physical Chemistry Letters·Yulun HanDmitri S Kilin
Jul 25, 2018·ACS Applied Materials & Interfaces·Seo-Yul KimYoun-Sang Bae

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