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Maduro, L.A. (author), van Heijst, S.E. (author), Conesa Boj, S. (author)
The phenomenon of polytypism, namely unconventional crystal phases displaying a mixture of stacking sequences, represents a powerful handle to design and engineer novel physical properties in two-dimensional (2D) materials. In this work, we characterize from first-principles the optoelectronic properties associated with the 2H/3R polytypism...
journal article 2022