High throughput screening of norbornadiene/quadricyclane derivates for molecular solar thermal energy storage-Reference-Cited by-同舟云学术

High throughput screening of norbornadiene/quadricyclane derivates for molecular solar thermal energy storage

Published:2022 Issue:47 Volume:24 Page:28956-28964
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Elholm Jacob Lynge¹^ORCID,Hillers-Bendtsen Andreas Erbs¹^ORCID,Hölzel Helen²^ORCID,Moth-Poulsen Kasper²³⁴^ORCID,Mikkelsen Kurt V.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100, Copenhagen O, Denmark

2. Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg, 412 96, Sweden

3. The Institute of Materials Science of Barcelona, ICMAB-CSIC, 08193, Bellaterra, Barcelona, Spain

4. Catalan Institution for Research and Advanced Studies, ICREA, Pg. Lluís Companys 23, Barcelona, Spain

Abstract

We present a procedure for performing high throughput screening of molecular compounds for molecular solar thermal energy storage devices using extended tight binding (xTB) methods.

Funder

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03032B

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