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  1. No Access

    Article

    Janus behavior of Au atoms interacting with fluorine

    Due to relativistic effects, Au exhibits unusual properties among the coinage metals. In addition to being reactive at the nanoscale, Au behaves like a hydrogen atom in small clusters. It was recently shown th...

    Huta Banjade, Aaron Shah, Puru Jena in Theoretical Chemistry Accounts (2023)

  2. No Access

    Article

    Two-dimensional MX Dirac materials and quantum spin Hall insulators with tunable electronic and topological properties

    We propose a novel class of two-dimensional (2D) Dirac materials in the MX family (M = Be, Mg, Zn and Cd, X = Cl, Br and I), which exhibit graphene-like band structures with linearly-dispersing Dirac-cone stat...

    Yan-Fang Zhang, **bo Pan, Huta Banjade, Jie Yu, Hsin Lin, Arun Bansil… in Nano Research (2021)

  3. Article

    Open Access

    Auxetic two-dimensional transition metal selenides and halides

    Auxetic two-dimensional (2D) materials provide a promising platform for biomedicine, sensors, and many other applications at the nanoscale. In this work, utilizing a hypothesis-based data-driven approache, we ...

    **bo Pan, Yan-Fang Zhang, **gda Zhang, Huta Banjade… in npj Computational Materials (2020)

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