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Updated: Jan 15, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

Manipulación de la Vía de Acoplamiento C─C mediante Mediación Dual de Ligandos Conmutable en Nanoclústeres de

Yang Zuo¹, Ziqi Chen¹, Along Ma²

¹College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao, P. R. China.

Small (Weinheim an der Bergstrasse, Germany)

|January 14, 2026

Abstract:

Atomically precise nanoclusters (Cu NCs) offer an unmatched view of how active-site chemistry steers CO₂ electroreduction, yet fine control over competing C₂ products remains elusive. Here we introduce a switchable dual-ligand strategy that decorates an identical Cu₁₃H₁₀ core with tailored thiolate (-SR) and phosphine (-PR₃) ligands, creating three isostructural catalysts (NC1 to NC3) whose surface electronics diverge by design. A single-step change in electron-withdrawing ligand flips selectivity from C₂H₄ (Faradaic efficiency, FE_C2H4 ≈ 33 %) to EtOH (FE_EtOH ≈ 31 %) without sacrificing ≥ -0.2 A·cm^-2 current density. In situ ATR-SEIRAS and DFT reveal that -SR ligands accelerate *COCHO → *CCO dehydration toward C₂H₄, whereas electron-withdrawing -PR₃ ligands stabilize *COCH₂O route to EtOH. These insights deliver a clear design rule: modulate Cu^ẟ+ sites through ligand induction to program C─C coupling pathways on demand.

Palabras clave:

catalizadores de hidruro de Cu(I)modulación a nivel atómico eCO2RR inducción por ligando productos específicos multicarbónicos

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