Regensburg 2019 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
MM: Fachverband Metall- und Materialphysik
MM 38: Methods in Computational Materials Modelling (methodological aspects, numerics)
MM 38.6: Vortrag
Donnerstag, 4. April 2019, 16:15–16:30, H44
Designing new two-dimensional Janus nanomaterials by anionic exchange — •Woosun Jang1,2 and Aloysius Soon1 — 1Department of Materials Science & Engineering, Yonsei University, Seoul 03722, Korea — 2Department of Inorganic Chemistry, Fritz-Haber-Institute of the Max-Planck-Society, Berlin 14195, Germany
Two-dimensional nanomaterials have played a key role in the recent advances in nanoscience for a decade, especially in the area of energy technology. Of late, a new class of 2D material has been suggested and experimentally realized – namely, the Janus monolayer. Different from preceding 2D materials, such as graphene and transition metal dichalcogenides, Janus monolayers lack the inversion symmetry in both in-plane and out-of-plane directions, and this leads to new anisotropic physiochemical properties which can be potentially useful for key energy applications. In this work, we design and investigate various novel two-dimensional Janus materials, via the anionic exchange method. In particular, by starting from the well-known MoS2 and WS2 monolayers, we substitute the top and bottom sulfur layers using a combination of group V and VII anions. Density-functional theory calculations are then performed to examine their anisotropic material properties.