СЕМИНАР: Срђан Ставрић

У оквиру СЦЛ семинара Центра за изучавање комплексних система, у четвртак, 11. априла 2019. у 14 часова у читаоници библиотеке „Др Драган Поповић“, Срђан Стевић (Лабораторија за теоријску физику и физику кондензоване материје, Институт за нуклеарне науке Винча) ће одржати предавање:

Structural and electronic properties of metals at 2D materials from first-principles calculations

САЖЕТАК:

Since the discovery of graphene in 2004, the physics of two-dimensional (2D) materials has become a fast-growing field. Their structural variety is followed by peculiar electronic properties, which foster the concept of utilizing them as major components in future nanodevices. For technological applications, of utmost importance is the understanding of their interaction with metals. After a brief introduction into a manifold of 2D materials, we will give a detailed description of the computational approach to metallic structures adsorbed at 2D materials based on the density functional theory (DFT). Then the tendency towards planar or three-dimensional (3D) growth of three selected metals will be rationalized from the atomic-scale description of the interaction between metal atoms, as well as adsorption geometries of their small clusters [1]. Special attention will be paid to the interaction of lithium with the representatives of different classes of 2D materials, where the general binding trend can be estimated from the position of conduction band minima of pristine 2D crystals [2].

[1] S. Stavrić, M. Belić, Ž. Šljivančanin, Carbon 96, 216-222 (2016)
[2] S. Stavrić, Z.S. Popović, Ž. Šljivančanin, Phys. Rev. Mater. 2 (11), 114007 (2018)