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First-Principles Study of I$_2$ and CH$_3$I Adsorption on Transition Metal Decorated 2D-Material substrates : Insights from Electronic Structure and Reaction Kinetics
Radioactive iodine species, particularly I$_2$ and CH$_3$I, pose significant environmental and technological hazards owing to their high volatility, chemical stability, and relatively weak interaction with traditional substrate and sorption materials. In this work, we proposed a series of transition
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