grant
Data-driven computational elucidation of catalyst materials for water electrolysis
Organization UKRILocation United Kingdom
UKRIUK ResearchGrantActive
Description preview
This study presents a comprehensive investigation into the geometric, electronic, and magnetic properties of Ni(OH)2, NiO2 and NiOOH, shedding light on their potential applications in catalysis, energy storage, and electronic devices. For NiOOH, the exploration of diverse hydrogen arrangements reveals crucial surface sites dictating catalytic…
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