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Updated: Apr 23, 2026
Harvesting Solar Energy by Means of Charge-Separating Nanocrystals and Their Solids
Published on: August 23, 2012
Exploring the potential of fulvalene dimetals as platforms for molecular solar thermal energy storage: computations,
Karl Börjesson1, Dušan Ćoso, Victor Gray
1Department of Chemical and Biological Engineering, Chalmers University of Technology, 41296 Gothenburg (Sweden).
Abstract:
A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu2 in its function as a molecular solar thermal energy storage framework is presented. It includes DFT calculations probing the effect of substituents, other metals, and CO exchange for other ligands on ΔHstorage . Experimentally, the system is shown to be robust in as much as it tolerates a number of variations, except for the identity of the metal and certain substitution patterns. Failures include 1,1',3,3'-tetra-tert-butyl (4), 1,2,2',3'-tetraphenyl (9), diiron (28), diosmium (24), mixed iron-ruthenium (27), dimolybdenum (29), and ditungsten (30) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO3 -SiO2 as a good candidate, although catalyst decomposition remains a challenge.
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