Projects & Grants
| Výpočetní objevování dvourozměrných materiálů a jejich heterostruktur směrem k aplikacím ve fotovoltaice a fotokatalýze | |
|---|---|
| Project Id | 02710/2025/RRC |
| Main solver | doc. Mgr. František Karlický, Ph.D. |
| Period | 6/2025 - 5/2028 |
| Provider | Katedra fyziky, OP ST (Spravedlivá transformace) |
| State | solved |
| Anotation | The proposed project deals with first-principles density functional theory-based computational study of the structural stability, electronic, magnetic, and optical properties of considered 2D materials with their pristine, monolayer, and heterostructures counterpart. The electronic properties of considered structures give us the direction to understand the nature and applications of materials in a very specific manner. We aim to propose these 2D heterostructures for potential application in photovoltaics (solar cells), electronics (diodes, transistors), and photocatalytic applications. The objective of our research is also to investigate the electrocatalytic properties of novel metal-free 2D materials, to replace costly and scarce catalysts such as Pt and Pd. Our research outcomes hold great promise in advancing the discovery of abundant, non-toxic, and cost-effective catalysts for hydrogen evolution reaction, playing a vital role in facilitating large-scale hydrogen production. |
