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Model Potential Study of Non-valence Correlation-bound Anions of (C60)n Clusters: the Role of Electric Field-Induced Charge Transfer

Abstract

A polarization model which accounts for electric field-induced charge transfer between fullerene molecules is introduced. Application of this model to the C60 dimer and trimer shows that intermolecular charge transfer makes a significant contribution to the polarizabilities of these clusters. This polarization model is incorporated into a one-electron Hamiltonian for describing non-valence correlation-bound anions, allowing us to further demonstrate that intermolecular charge transfer also results in increased stability of these anion states.

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Publication details

The article was accepted on 29 Nov 2018 and first published on 29 Nov 2018


Article type: Paper
DOI: 10.1039/C8FD00199E
Citation: Faraday Discuss., 2018, Accepted Manuscript

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    Model Potential Study of Non-valence Correlation-bound Anions of (C60)n Clusters: the Role of Electric Field-Induced Charge Transfer

    T. H. Choi and K. Jordan, Faraday Discuss., 2018, Accepted Manuscript , DOI: 10.1039/C8FD00199E

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