Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 116, Issue 43, Pages 13141-13148Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp3099895
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Funding
- NSF-CCI Center for Molecular Spintronics [CHE-0924966]
- Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory [DE-AC05-00OR22725]
- UT-Battelle, LLC
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0943975] Funding Source: National Science Foundation
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Using first principles calculations, we predict a complex multifunctional behavior in cobalt bis(dioxolene) valence tautomeric compounds. Molecular spin-state switching is shown to dramatically alter electronic properties and corresponding transport properties. This spin state dependence has been demonstrated for technologically relevant coordination polymers of valence tautomers as well as for novel conjugated polymers with valence tautomeric functionalization. As a result, these materials are proposed as promising candidates for spintronic devices that can couple magnetic bistability with novel electrical and spin conduction properties. Our findings pave the way to the fundamental understanding and future design of active multifunctional organic materials for spintronics applications.
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