The modular approach enables a fully ab initio simulation of the contacts between 3D and 2D materials
J. Phys: Condens. Matter 28, 3935393 (2016).
A. Fediai, D. A. Ryndyk, and G. Cuniberti.
Journal DOI: https://doi.org/10.1088/0953-8984/28/39/395303

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