Theoretical insights into encapsulated noble metals

• Thesis title in Czech: Teoretciké studium vzácých kovů zachycených v matrici
• Thesis title in English: Theoretical insights into encapsulated noble metals
• Key words: globální optimalizace, kinetické Monte Carlo, metody funkcionálu hustoty, zeolity, klastry vzácných kovů, katalýza jednotlivými atomy, odolnost vůči aglomeraci, záchyt klastrů v matrici, excitační energie
• English key words: global structure optimization, kinetic Monte Carlo, density functional theory, zeolites, noble metal clusters, single-atom catalysts, sintering resistance, encapsulation, excitation energy
• Academic year of topic announcement: 2017/2018
• Thesis type: dissertation
• Thesis language: angličtina
• Department: Department of Physical and Macromolecular Chemistry (31-260)
• Supervisor: Christopher James Heard, Ph.D.
• Author: hidden - assigned by the advisor
• Date of registration: 09.10.2017
• Date of assignment: 11.10.2017
• Date of electronic submission: 27.07.2022
• Date of proceeded defence: 16.09.2022
• Opponents: Dr. Andrew Logsdail
• Advisors: prof. RNDr. Petr Nachtigall, Ph.D.

Preliminary scope of work

Studium kovových nanočástic v zeolitech: analýza energie, struktury, stabilizace a optických vlastností

Preliminary scope of work in English

Study of metal nanoparticles in zeolites: structure prediction, analysis of energetics, stabilisation and optical properties