Computational Thermodynamic and Kinetic Analyses for Electrochemical CO2 Capture and Conversion to Fuels / Abdulaziz Alherz.

Electrochemistry utilizes practical and renewable energy resources to overcome thermodynamically challenging chemical reactions. This work focuses on the application of quantum chemical computational methods, Density Functional Theory (DFT) and Grand-Canonical DFT (GC-DFT), to understand thermodynam...

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