2007
DOI: 10.1560/ijc.47.1.99
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The Role of Charge Localization in Current‐Driven Dynamics

Abstract: We explore the role of charge localization in current‐triggered, resonance‐mediated, dynamical events in molecular junctions. To that end we use a simple model for a molecular rattle, a Li+C9H−9 zwitterion attached between two metal clusters. By varying the size of the metal clusters we systematically vary the degree of delocalization of the electronic orbitals underlying the resonant current, and thus can draw general conclusions regarding the effect of delocalization on dynamical processes induced by resonan… Show more

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Cited by 4 publications
(5 citation statements)
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“…This indicates that the ionic state additional charge compared to the neutral state is delocalized among carbon atoms that are far from the adsorbed hydrogen atom. Charge localization was shown in previous work to be the origin of the equilibrium difference between the neutral and charged states as the nuclei respond to the new charge localized in their vicinity. Conversely, systems where the added charge in the transient ionic state is strongly delocalized are expected to show at most minimal if any equilibrium change upon charging.…”
mentioning
confidence: 85%
“…This indicates that the ionic state additional charge compared to the neutral state is delocalized among carbon atoms that are far from the adsorbed hydrogen atom. Charge localization was shown in previous work to be the origin of the equilibrium difference between the neutral and charged states as the nuclei respond to the new charge localized in their vicinity. Conversely, systems where the added charge in the transient ionic state is strongly delocalized are expected to show at most minimal if any equilibrium change upon charging.…”
mentioning
confidence: 85%
“…One of the interesting potential applications of current-driven dynamics in junctions is individually driven molecular machines. ,, A molecular machine is defined as a molecule or an assembly of molecular components that is designed to perform mechanical motion in response to an external stimulus . To date efforts to construct systems that respond to stimuli by directed motion have focused largely on using electrochemical charging, photochemical excitation, or chemical reactions to produce dynamic events. , Although traditional molecular machines have been driven in the solution phase, there has been growing effort to constructs such devices in the dry state on a solid support.…”
Section: Introductionmentioning
confidence: 99%
“…In addition to a dry environment, the molecular junction introduces the possibility of driving molecular machines individually (or coherently), on a single device level, rather than as an ensemble. It promises also the possibility to design machines that perform sustained unidirectional motion rather than stepwise evolution. ,, Finally, the dissipative nature of the environment in a molecular scale device could provide adequate relaxation such that additional chemical and light-driven stimuli would be unnecessary to reset the machine to its initial state.…”
Section: Introductionmentioning
confidence: 99%
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