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Theoretical Study of Solvent Effects in Heterogeneous Catalysis using Density Functional Theory

Creator:

Chukwu, Kingsley C.

Abstract:

Heterogeneous catalytic reactions in solvents are important for chemical processes like direct methanol fuels, biomass conversion to biofuels and electrochemical reduction of CO2 to fuels. Numerous experimental studies have shown that co-adsorbates and solvents affect the rate and selectivity of heterogeneous catalytic reaction, therefore fundamental understanding of how co-adsorbates and...

Resource Type:

Dissertation

Full Text:

Líney Árnadóttir Heterogeneous catalytic reactions in solvents are important for chemical processes
Design Principles of Transition Metal X-ide Catalysts for Electrochemical Oxygen Reduction and Evolution Reactions: In-Situ X-ray Spectroscopy Studies

Creator:

Wang, Maoyu

Abstract:

Hydrogen is the green fuel that can be produced from water through electrolysis and used via hydrogen fuel cells to generate electricity with zero carbon dioxide emission. The commercialization of electrolyzers and fuel cells is the critical step to achieving global carbon neutrality. However, it is severely hampered by the...

Resource Type:

Dissertation

Full Text:

, Prof. Líney Árnadóttir, Prof. Chih-hung Chang, Prof. Gregory S. Herman, and Prof. Liu Hong. Thank you