Theoretical studies of mixed-valence organometallic species for potential utilization as quantum cellular automata

被引：9

作者：

Groizard, Thomas ^{[1
]}

Kahlal, Samia ^{[1
]}

Halet, Jean-Francois ^{[1
]}

机构：

[1] Univ Rennes 1, CNRS, UMR 6226, Inst Sci Chim Rennes, Ave Gen Leclerc, F-35042 Rennes, France

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2017年 / 844卷

关键词：

Quantum-dot cellular automata; Density functional theory calculations; Mixed-valence; Iron; Molecular wire; Carbon chain; TRANSITION-METAL-COMPLEXES; MOLECULAR QCA CELLS; (FE-II)(2)(FE-III)(2) SQUARE; LOCALIZATION; DEPENDENCE; SURFACE; RU; FE; DELOCALIZATION; ELECTRONICS;

D O I：

10.1016/j.jorganchem.2017.02.021

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The chemistry of mixed-valence complexes joins that of molecular electronics in the quantum cellular automata (QCA) paradigm, a concept which has been demonstrated to be a possible alternative to the transistor-based technology, in which binary information is encoded in the configuration of charge among redox-active molecular sites. Experimental and theoretical efforts have recently been devoted to molecular mixed-valence organometallic systems containing two and four metal centers as candidates for QCA. Properties of specific examples based on hypothetical organometallic molecules are theoretically analyzed and discussed with the aid of DFT calculations. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：35 / 42

页数：8

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