Published in
Royal Society of Chemistry, Dalton Transactions, 19(50), p. 6578-6587, 2021
DOI: 10.1039/d1dt00078k
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A photo-induced spin crossover based molecular switch and spin filter operating at room temperature
Journal article published in 2021 by
Nicolás Montenegro-Pohlhammer 
,
Rocío Sánchez-De-Armas ,
Carmen J. Calzado ,
Merlys Borges-Martínez ,
Gloria Cárdenas-Jirón
,
Rocío Sánchez-De-Armas ,
Carmen J. Calzado ,
Merlys Borges-Martínez ,
Gloria Cárdenas-Jirón
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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.