TY - JOUR
T1 - Molecular solar thermal energy storage properties of photochromic molecules physisorbed onto nanoparticles
AU - Hillers-bendtsen, Andreas Erbs
AU - Kjeldal, Frederik Ørsted
AU - Mikkelsen, Kurt V.
PY - 2019/10/16
Y1 - 2019/10/16
N2 - In this study, we present the changes in molecular solar thermal energy storage properties of the 3-amino-substituted-dihydroazulene/vinylheptafulvene photo- and thermochromic system induced by physisorption of the system onto different nanoparticles. The calculations are carried out with a combined quantum mechanical/molecular mechanical method where the molecules are described by density functional theory. The nanoparticles are represented using molecular mechanics. We find that both the energy storage capability and back reaction barrier for the system can be influenced by the nanoparticles. The influence depends on the type of nanoparticle, the orientation of the molecular system, and the molecule-cluster separation.
AB - In this study, we present the changes in molecular solar thermal energy storage properties of the 3-amino-substituted-dihydroazulene/vinylheptafulvene photo- and thermochromic system induced by physisorption of the system onto different nanoparticles. The calculations are carried out with a combined quantum mechanical/molecular mechanical method where the molecules are described by density functional theory. The nanoparticles are represented using molecular mechanics. We find that both the energy storage capability and back reaction barrier for the system can be influenced by the nanoparticles. The influence depends on the type of nanoparticle, the orientation of the molecular system, and the molecule-cluster separation.
U2 - 10.1016/j.cplett.2019.136661
DO - 10.1016/j.cplett.2019.136661
M3 - Journal article
SN - 0009-2614
VL - 733
SP - 1
EP - 6
JO - Chemical Physics Letters
JF - Chemical Physics Letters
M1 - 136661
ER -