Exploring the Impact of the HOMO–LUMO Gap on Molecular Thermoelectric Properties: A Comparative Study of Conjugated Aromatic, Quinoidal, and Donor–Acceptor Core Systems

Author:

Blankevoort Nickel1,Bastante Pablo2ORCID,Davidson Ross J.3ORCID,Salthouse Rebecca J.3ORCID,Daaoub Abdalghani H. S.1,Cea Pilar456ORCID,Solans Santiago Martin456,Batsanov Andrei S.3ORCID,Sangtarash Sara1ORCID,Bryce Martin R.3ORCID,Agrait Nicolas27ORCID,Sadeghi Hatef1ORCID

Affiliation:

1. Device Modelling Group, School of Engineering, University of Warwick, Coventry CV4 7AL, U.K.

2. Departamento de Física de la Materia Condensada C-III, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

3. Department of Chemistry, Durham University, Durham DH1 3LE, U.K.

4. Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC−Universidad de Zaragoza, 50009 Zaragoza, Spain

5. Departamento de Química Física, Universidad de Zaragoza, 50009 Zaragoza, Spain

6. Laboratorio de Microscopias Avanzadas (LMA), Universidad de Zaragoza, 50018 Zaragoza, Spain

7. Condensed Matter Physics Center (IFIMAC) and Instituto Universitario de Ciencia de Materiales “Nicolás Cabrera”, Universidad Autónoma de Madrid, 28049 Madrid, Spain

Funder

UK Research and Innovation

Gobierno de Arag??n

Leverhulme Trust

European Commission

Ministerio de Ciencia e Innovaci??n

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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