Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States—Possibility of Molecular Switch with Open-Shell Molecules

Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States—Possibility of Molecular Switch with Open-Shell Molecules

The electron conductivity of an extended metal atom chain (EMAC) that consisted of penta-nickel(II) ions bridged by oligo-α-pyridylamino ligands was examined by density functional theory (DFT) and elastic scattering Green’s functions (ESGF) calculations. The calculated results rev...

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Bibliographic Details
Main Authors: Yasutaka Kitagawa, Hayato Tada, Iori Era, Takuya Fujii, Kazuki Ikenaga, Masayoshi Nakano
Format: Article
Language:English
Published: MDPI AG 2019-05-01
Series:Molecules
Subjects:
EMACs
one-dimensional penta-nickel (II) complex
electron conductivity
density functional theory
elastic scattering Green’s function theory
Online Access:https://www.mdpi.com/1420-3049/24/10/1956

Internet

https://www.mdpi.com/1420-3049/24/10/1956

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