About the dissertation research of Malyarska IV
Theme of dissertation research: “STRUCTURAL AND OPTICAL PROPERTIES OF CDTE THIN FILMS DOPED BY GROUP ELEMENTS I, II AND VII” graduate students of the first year of study specialty – 104- Physics and astronomy Malyarska Ivanna Volodymyrivna
Relevance of the research topic The 21st century is becoming an era of energy saving and energy-saving technologies that not only save natural resources and ensure energy autonomy and stability, but also significantly reduce the negative impact of industrialization on the environment and its ecosystems. Solar energy is one of the promising areas of renewable energy sources, which in recent years have been very actively introduced into world industry and everyday life.
An important task today is the development of materials and technologies for use in energy. The most interesting and widely used were photovoltaic systems. However, poly- and single-crystal silicon elements have a certain disadvantage, which is associated with a complex technological process. An alternative to silicon elements are the so-called photovoltaic systems of the 2nd generation – thin-film photovoltaic cells, among which there are materials based on compounds II-VI (CdTe, ZnO, CdS, etc.).
Thin-film technology allows you to smoothly adjust the initial parameters of the material, and the introduction of a controlled composition and amount of impurities helps to expand the practical possibilities for this type of photocells.
Given the current capabilities of mathematical packages of computer modeling, existing computational programs based on quantum chemical calculations (so-called ab initio calculations, or DFT) can accurately predict the structural, optical and thermodynamic properties of thin films as binary materials. , and when introducing into their structure of various impurities.
This dissertation research proposes a complex theoretical and experimental solution for modeling the optimal type of thin-film, photovoltaic materials with predicted high characteristics and its experimental implementation. Binary CdTe was chosen as the base material, which will be doped with elements of groups I, II and VII of the Periodic Table of the Elements. Careful modeling will allow to predict the choice of alloying impurity before conducting experimental studies and confirmations. The GAMESS VS package (thermodynamic characteristics) and WIEN2k (energy, structural and optical characteristics) will be used for this purpose. The simulation of the final photoelectric cell will be performed in the SCAPS environment.
The purpose of the dissertation is to study the structural and optical properties of CdTe thin films doped with elements of groups I, II and VII for their practical application.