Theoretical screening of the transition metal heteronuclear dimer anchored graphdiyne for electrocatalytic nitrogen reduction
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چکیده
منابع مشابه
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Theoretical studies of the possibility of forming ammonia electrochemically at ambient temperature and pressure are presented. Density functional theory calculations were used in combination with the computational standard hydrogen electrode to calculate the free energy profile for the reduction of N(2) admolecules and N adatoms on several close-packed and stepped transition metal surfaces in c...
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ژورنال
عنوان ژورنال: Journal of Energy Chemistry
سال: 2021
ISSN: 2095-4956
DOI: 10.1016/j.jechem.2020.06.032