A photo-induced spin crossover based molecular switch and spin filter operating at room temperature-Reference-Cited by-同舟云学术

A photo-induced spin crossover based molecular switch and spin filter operating at room temperature

Published:2021 Issue:19 Volume:50 Page:6578-6587
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Montenegro-Pohlhammer Nicolás¹²³⁴⁵^ORCID,Sánchez-de-Armas Rocío⁶⁷⁸⁹^ORCID,Calzado Carmen J.⁶⁷⁸⁹^ORCID,Borges-Martínez Merlys¹²³⁴⁵^ORCID,Cárdenas-Jirón Gloria¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Theoretical Chemistry

2. Faculty of Chemistry and Biology

3. University of Santiago de Chile (USACH)

4. Santiago

5. Chile

6. Departamento de Química Física

7. Universidad de Sevilla

8. 41012 Sevilla

9. Spain

Abstract

In this work, we performed a detailed study, by means of DFT and WFT methods, focused on the deposition of the NiTP–PAPy complex over an Au(111) surface, followed by DFT–NEGF calculations in order to probe the deposited complex transport properties.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Departamento de Investigaciones Científicas y Tecnológicas, Universidad de Santiago de Chile

Ministerio de Ciencia e Innovación

Agencia Estatal de Investigación

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D1DT00078K

Reference54 articles.