Exploring the Potential of Fulvalene Dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis
Artikel i vetenskaplig tidskrift, 2014

A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu(2) 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 Delta H-storage. 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 di-tungsten (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.

photochemistry

isomerization

iron

ruthenium

ab initio calculations

Författare

Karl Börjesson

Polymerteknologi

D. Coso

University of California at Berkeley

Victor Gray

Chalmers, Kemi- och bioteknik, Polymerteknologi

J. C. Grossman

Massachusetts Institute of Technology (MIT)

J. Q. Guan

Helmholtz-Zentrum Geesthacht

C. B. Harris

Massachusetts Institute of Technology (MIT)

N. Hertkorn

University of California at Berkeley

Jilin University

Z. R. Hou

University of California at Berkeley

Y. Kanai

Lawrence Berkeley National Laboratory

The University of North Carolina at Chapel Hill

D. Lee

The University of North Carolina at Chapel Hill

J. P. Lomont

University of California at Berkeley

A. Majumdar

University of California at Berkeley

Stanford University

S. K. Meier

University of California at Berkeley

Kasper Moth-Poulsen

Polymerteknologi

R. L. Myrabo

University of California at Berkeley

S. C. Nguyen

University of California at Berkeley

R. A. Segalman

University of California at Berkeley

V. Srinivasan

Indian Institute of Science

W. B. Tolman

University of California at Berkeley

N. Vinokurov

University of California at Berkeley

K. P. C. Vollhardt

University of California at Berkeley

T. W. Weidman

University of California at Berkeley

Chemistry - A European Journal

0947-6539 (ISSN) 1521-3765 (eISSN)

Vol. 20 47 15587-15604

Molekylärt baserat termisk solenergi lagring och omvandling

Vetenskapsrådet (VR), 2012-01-01 -- 2015-12-31.

Ämneskategorier

Polymerkemi

Styrkeområden

Energi

Materialvetenskap

DOI

10.1002/chem.201404170

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Senast uppdaterat

2021-02-17