Optimization of the thermochemical properties of the norbornadiene/quadricyclane photochromic couple for solar energy storage using nanoparticles

Abstract

In this paper, we present an investigation concerning the prospects of using nanoparticles to improve solar energy storage properties of three different norbornadiene/quadricyclane derivatives. Computationally, we study how different nanoparticles...

Perturbation of the UV transitions of formaldehyde by TiO2photocatalysts and Aunnanoclusters

“…[54][55][56][57][58][59] The electronic polarizabilities of the nanoparticles ensure that the excited states of formaldehyde are interacting with the appropriate polarization of the nanoparticle as demonstrated previously. [54][55][56][57][58][59] The TiO 2 NP is modelled using the rutile structure of TiO 2 . The lattice parameters of the unit cell are a = b = 4.594 Å and c = 2.959 Å and the most commonly occurring (110) surface has been utilized.…”

“…Previously, we have successfully used this approach when investigating organic photochromic molecules interacting with metallic nanoparticles. 54–59 The electronic polarizabilities of the nanoparticles ensure that the excited states of formaldehyde are interacting with the appropriate polarization of the nanoparticle as demonstrated previously. 54–59…”

“…54–59 The electronic polarizabilities of the nanoparticles ensure that the excited states of formaldehyde are interacting with the appropriate polarization of the nanoparticle as demonstrated previously. 54–59…”

Aza-bicyclooctadiene/tetracyclooctane couples as promising photoswitches for molecular solar thermal energy storage applications

“…1,2,5,10,11,17,18,27,28,[30][31][32][33][34][35][36][37][38][39][40][41] Among them, NBD/QC is the most studied photochromic couple for MOST application owing to its comparatively higher storage energy density. 1,6,29,[42][43][44][45][46] Moth-Poulsen and co-workers have made significant efforts to tailor the properties of photoswitching couples for MOST application. 1,7,12,15,27,35,40,44,[47][48][49] Numerous attempts have also been made by Mikkelsen and co-workers to tune the properties of different molecular photoswitches in the theoretical studies.…”

“…1,7,12,15,27,35,40,44,47–49 Numerous attempts have also been made by Mikkelsen and co-workers to tune the properties of different molecular photoswitches in the theoretical studies. 13–15,31–34,43,45,48,50–54…”