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Unlocking the potential of alkaline-earth metal active centers for nitrogen activation and ammonia synthesis: the role of s-d orbital synergy

Transition metal (TM) has been widely studied for electrocatalytic nitrogen fixation, while main-group, especially alkaline-earth (AE), metals remain largely unexplored. Herein, we theoretically investigated the capability and mechanism of AE... Click to show full abstract

Transition metal (TM) has been widely studied for electrocatalytic nitrogen fixation, while main-group, especially alkaline-earth (AE), metals remain largely unexplored. Herein, we theoretically investigated the capability and mechanism of AE...

Keywords: earth metal; alkaline earth; metal; potential alkaline; metal active; unlocking potential

Journal Title: Journal of Materials Chemistry A
Year Published: 2024

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