Publications by authors named "Jacob S Hirschi"
Electronic Structure and CO Reactivity of Group IV/V/VI Tetraperoxometalates.
J Phys Chem A
September 2024
Tetraperoxo metal complexes are a category of dioxygen compounds with novel properties. One of their underconsidered applications is in direct air capture (DAC) reactions, whose study is of great interest in order to slow the effects of climate change. Through computational modeling, the present work considers a family of tetraperoxometalate complexes of the form [M(O)] that capture atmospheric CO to produce [MO(O)(CO)] and O.
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- Direct air capture (DAC) of CO2 is essential to mitigate global climate change, and research is focused on various materials, particularly alkaline inorganic metal oxides that create carbonates.
- This study investigates early d-transition metal peroxides, specifically tetraperoxovanadates, exploring their conversion pathways to produce CO-capturing compounds through various experimental techniques, including X-ray crystallography and spectrometry.
- The reactions are influenced by the type of alkali metal used, affecting both the stability and efficiency of CO capture, revealing that while heavier alkalis enhance capture speed, they don't necessarily improve the total amount of CO captured.