Molecular spintronics envisions the construction of molecular spin states that will control spin injection, transport, and manipulation for new high speed, low-power devices through designed synthesis. Not only can molecular spin states be designed as key components of new molecules, these spin states can also be designed to be switchable using external stimuli via a process known as spin crossover. In this talk I will review recent advances in the study of molecular spintronics with first principles techniques and discuss recent results on the electronic/spintronic/thermal transport properties of a variety of molecular systems. These include but are not limited to: molecular organization at surfaces and transport behavior of metal phthalocyanine, Co-based valence tautomers and Fe spin crossover compounds. 

Computational design of advanced materials for molecular spintronics applications

246th National Meeting (2013)

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