,

Design of Ni-based Mixed Metal Catalysts for Hydrogen Production from Biomass : A DFT Study

,

Design of Double Atom Catalysts for the Oxygen Evolution Reaction: A DFT Study

,

Computational design of catalyst for nitrogen reduction reaction by controlling support effect

,

A Machine Learning and DFT - based Design of Sub-nanometer Ruthenium Clusters for Electrochemical Nitrogen Reduction Reaction

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루테늄 기반 sub-nano 크기의 촉매에서의전기화학적 질소 환원 반응에 대한 DFT 연구