Published:
Scientific Achievement: Atomic-scale simulations and experiments revealed the acidity of MgO surface sites and suggested their hydroxylation as the mechanism for Mg(OH)2 conversion.
Significance and Impact: Results provide new understanding of reaction pathways in MgO to Mg(OH)2 conversion, a reaction that underpins multiple energy applications.
DOI: 10.1039/D5TA03981A
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