Metallic bands in chevron-type polyacenes

Author:

Kher-Elden Mohammed A.12345,Piquero-Zulaica Ignacio678ORCID,Abd El-Aziz Kamel M.12345,Ortega J. Enrique910111213,Abd El-Fattah Zakaria M.12345ORCID

Affiliation:

1. Physics Department

2. Faculty of Science

3. Al-Azhar University

4. 11884 Cairo

5. Egypt

6. Physik Department E20

7. Technische Universität München

8. Germany

9. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU)

10. 20018 Donostia-San Sebastián

11. Spain

12. Donostia International Physics Center

13. 20018 Donostia-San Sebastian

Abstract

We present electronic structure calculations based on a single-parameter plane wave expansion method for molecular nanostructures revealing excellent agreement with density functional theory and predicting metallic bands for chevron molecular dimers.

Funder

Ministerio de Ciencia e Innovación

Eusko Jaurlaritza

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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