Blar i forfatter Universitetsbiblioteket "Kvashnin, Alexander G."

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    • Electronic Properties of Functionalized Diamanes for Field-Emission Displays 

      Tantardini, Christian; Kvashnin, Alexander G.; Azizi, Maryam; Gonze, Xavier; Gatti, Carlo; Altalhi, Tariq; Yakobson, Boris I. (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-03-16)
      Ultrathin diamond films, or diamanes, are promising quasi-2D materials that are characterized by high stiffness, extreme wear resistance, high thermal conductivity, and chemical stability. Surface functionalization of multilayer graphene with different stackings of layers could be an interesting opportunity to induce proper electronic properties into diamanes. Combination of these electronic ...

    • GIPAW Pseudopotentials of d Elements for Solid-State NMR 

      Tantardini, Christian; Kvashnin, Alexander G.; Ceresoli, Davide (Journal article; Tidsskriftartikkel; Peer reviewed, 2022-05-06)
      Computational methods are increasingly used to support interpreting, assigning and predicting the solid-state nuclear resonance magnetic spectra of materials. Currently, density functional theory is seen to achieve a good balance between efficiency and accuracy in solid-state chemistry. To be specific, density functional theory allows the assignment of signals in nuclear resonance magnetic spectra ...