Theoretical investigation on hydrogenation of dinitrogen triggered by singly dispersed bimetallic sites

نویسندگان

چکیده

By first-principles calculations, the singly dispersed bimetallic site, Pd 1 Co 4 /CoO x SCC, is proposed to exhibit superior charge buffer capacity towards thermal dinitrogen hydrogenation based on a superimposed evaluation strategy.

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ژورنال

عنوان ژورنال: Journal of materials chemistry. A, Materials for energy and sustainability

سال: 2022

ISSN: ['2050-7488', '2050-7496']

DOI: https://doi.org/10.1039/d1ta08350c