SCL семинар Центра за изучавање комплексних система на коме ће говорити наш колега др Ненад Вукмировић са Института за физику у Београду биће одржан у четвртак, 19. априла у 14 часова у читаоници библиотеке „Др Драган Поповић“.
Наслов предавања др Вукмировића је:
Effects of thermal disorder on electronic properties of hybrid halide perovskites
САЖЕТАК:
Hybrid organic-inorganic halide perovskite materials have attracted enormous attention in last several years due to their outstanding optoelectronic properties. In particular, these materials can be used as low-cost active materials in solar cells [1, 2] with power conversion efficiencies larger than 20%. In the first part of the talk, we will give a brief overview of current understanding of properties of these materials. In the second part, we will present our results aimed at understanding the role of organic group and corresponding effects of thermal disorder in halide perovskite materials [3]. These effects were investigated using ab-initio molecular dynamics simulations. It was generally found that band gap variations due to effects of thermal disorder are the largest in materials with the smallest lattice constant. The factors that may lead to departure from this trend include the degree of rotational and translational motion of organic cation and the strength of its dipole. It was also found that the contribution of flexible organic part to band gap variations is considerably smaller than the contribution of inorganic part of the material.
[1] M. M. Lee et al, Science 338, 643 (2012).
[2] M. Liu et al, Nature 501, 395 (2013).
[3] M. Mladenović and N. Vukmirović, submitted (2018).