Theoretical study of framework stability and catalysis in zeolites

• Thesis title in Czech: Teoretické studium stability rámce a katalýzy v zeolitech
• Thesis title in English: Theoretical study of framework stability and catalysis in zeolites
• Key words: Kvantová chemie, metody funkcionálu hustoty, modelování, výpočetní chemie, chemie materiálů, nanomateriály, katalýza, zeolity.
• English key words: Quantum chemistry, density functional theory, modeling, computational chemistry, material chemistry, nanomaterials, catalysis, zeolites.
• Academic year of topic announcement: 2017/2018
• Thesis type: dissertation
• Thesis language: angličtina
• Department: Department of Physical and Macromolecular Chemistry (31-260)
• Supervisor: Junjie He, Ph.D.
• Author: Mingxiu Liu - assigned by the advisor
• Date of registration: 09.10.2017
• Date of assignment: 09.10.2017
• Date of electronic submission: 14.03.2025
• Opponents: RNDr. Ota Bludský, CSc.
• Advisors: doc. RNDr. Lukáš Grajciar, Ph.D.

Preliminary scope of work

studium stability rámce a katalýzy v zeolitech: Zeolity s vysokým obsahem křemíku, defektů, hydrolýze, výměna kyslíku, bází, množství vody, katalýzy, Brønstedova kyselá místa, Lewisova kyselá místa.

Preliminary scope of work in English

Study of framework stability and catalysis in zeolites: high Si zeolites, defects, hydrolysis, oxygen exchange, bases, water loading, catalysis, Brønsted acid sites, Lewis acid sites.