Layered materials have attracted a lot of attention since the first synthesis of graphene. One of the main interests resides in the variety of electronic, mechanical, thermal, and adsorption properties that the different two-dimensional materials present. Furthermore, it is expected that these properties can be tuned for specific applications in a controllable manner. Here, we discuss specific challenges in describing the electronic properties of these materials and we discuss our calculations on their electronic and metal adsorption properties.

Electronic and adsorption properties of 2D materials by density functional theory calculations

249th National Meeting (2015)

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