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Boosting the CO <sub>2</sub> reduction activity of Cu double-atom catalysts through coordination environment engineering

Seerat Amin, Saïlaja Krishnamurty, Manzoor Ahmad Dar

2025Sustainable Energy & Fuels13 citationsDOI

Abstract

Coordination environment regulation on the CO 2 R activity of Cu 2 -DACs supported on C, N, or B co-doped graphene using ab initio simulations.

Topics & Concepts

Boosting (machine learning)CatalysisReduction (mathematics)Atom (system on chip)Materials scienceChemistryChemical engineeringComputer scienceEngineeringArtificial intelligenceEmbedded systemMathematicsOrganic chemistryGeometryCatalytic Processes in Materials ScienceCO2 Reduction Techniques and CatalystsCatalysts for Methane Reforming
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