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Intrinsic Properties Affecting the Catalytic Activity of 3d Transition-Metal Carbides in Li–O2 Battery

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All 3d transition-metal carbides (3d-TMCs) in the NaCl structure have been constructed to compare the catalytic activities of Li–O2 batteries by first-principles calculations. The interfacial catal... Click to show full abstract

All 3d transition-metal carbides (3d-TMCs) in the NaCl structure have been constructed to compare the catalytic activities of Li–O2 batteries by first-principles calculations. The interfacial catal...

Keywords: intrinsic properties; metal carbides; transition metal; properties affecting

Journal Title: Journal of Physical Chemistry C
Year Published: 2018

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