Structure, stability and electronic properties of one-dimensional tetrathia- and tetraselena[8]circulene-based materials: a comparative DFT study-Reference-Cited by-同舟云学术

Structure, stability and electronic properties of one-dimensional tetrathia- and tetraselena[8]circulene-based materials: a comparative DFT study

Published:2020 Issue:17 Volume:44 Page:6872-6882
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Karaush-Karmazin Nataliya N.¹²³⁴^ORCID,Kuklin Artem V.⁵⁶⁷⁸⁹^ORCID,Baryshnikov Gleb V.¹²³⁴⁹^ORCID,Begunovich Lyudmila V.⁵⁶⁷⁸,Ågren Hans⁹¹⁰¹¹¹²¹³^ORCID,Minaev Boris F.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry and Nanomaterials Science

2. Bohdan Khmelnytsky National University

3. Cherkasy

4. Ukraine

5. Department of Science and Innovations

6. Siberian Federal University

7. Krasnoyarsk

8. Russian Federation

9. Division of Theoretical Chemistry and Biology

10. School of Engineering Sciences in Chemistry

11. Biotechnology and Health

12. KTH Royal Institute of Technology

13. 10691 Stockholm

Abstract

Computations reveal how the electronic and optical properties can be controlled in nanostructures.

Funder

Russian Science Foundation

Ministry of Education and Science of Ukraine

Stiftelsen Olle Engkvist Byggmästare

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/D0NJ00676A

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