SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 66: Poster Session V: 2D Materials: Electronic structure, excitations, etc. I
O 66.4: Poster
Mittwoch, 3. März 2021, 10:30–12:30, P
Charge Transfer of Twist-Angle-Dependent Phosphorene-Graphene Heterobilayers. — •El-abed Haidar1, Sherif Abdulkader Tawfik2, and Catherine Stampfl1 — 1The University of Sydney, Sydney, Australia — 2RMIT University, Melbourne, Victoria, Australia
Twistronics is the study of the changes to the electronic properties of two-dimensional material bilayers due to rotational stacking, or twisting. In this work we explore the impact of twisting on the vertical charge transfer in a graphene-phosphorene bilayer using density-functional theory. We examine different twist angles and find significant drop in charge transfer when the twist changes from zero to greater than zero degrees. Such interesting feature can have major impacts in enriching two dimensional twistronics concepts especially their electronic properties.