Browsing Materials Research Centre (MRC) by Subject "Heterogeneous Catalysis"
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Overcoming Challenges Associated with Hydrogen Storage Efficiency and Fuel Cell Catalysis : An Ab Initio Study
Fuel cells offer the best solution to the imminent energy and environmental crisis staring at our face, urging the scientific community to overcome all the challenges faced by its effective commercialization. These harness ... -
Tuning Properties of Heterogeneous Catalysts using First Principles and Machine Learning
The surface-to-volume ratio plays a crucial role in determining the catalytic performance of heterogeneous catalysts by influencing surface energy, reactivity, and stability. This thesis systematically explores how tuning ...