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Translationally symmetric graphene strips

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Abstract

The character of non-bonding molecular orbitals (and the related spin-density) is addressed in the general circumstance of translationally symmetric graphenic strips. Besides a systematic characterization of such possible strips, couplings are addressed between boundary-localized unpaired spins, including the case when opposite sides of a strip are two different types of (translationally symmetric) boundaries.

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Acknowledgements

Especially T. G. thanks Indo-US Science and Technology Forum (IUSSTF) and SERB for the fellowship grant (SERB Indo-US postdoctoral fellowship 2017). YPO is grateful for an UNAM-DGAPA postdoctoral fellowship and for funding from CONACyT Proyecto Fronteras 952.

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Authors and Affiliations

  1. Foundational Sciences, Texas A&M University @ Galveston, Galveston, TX 77551, USA

    D. J. Klein

  2. Department of Chemistry, Raiganj University, Raiganj, Uttar Dinajpur, West Bengal, 733134, India

    T. Goswami

  3. Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México, Cuernavaca, Mexico

    Y. P. Ortiz

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  1. D. J. Klein
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  2. T. Goswami
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  3. Y. P. Ortiz
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Correspondence to D. J. Klein.

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Klein, D.J., Goswami, T. & Ortiz, Y.P. Translationally symmetric graphene strips. J Math Chem 58, 1014–1024 (2020). https://doi.org/10.1007/s10910-020-01112-7

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  • DOI: https://doi.org/10.1007/s10910-020-01112-7

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