Copper nanoclusters: Selective CO2 to methane conversion beyond 1 A/cm² - ScienceDirect

• DFT computations demonstrate dominant Cu (111) facet at extremely small sizes • Strong chemisorption of ethylene and ethane observed on Cu nanoclusters (Cu NC) • Selectivity shifts from ethylene to methane as particle size decreases • Cu NC with 0.5 nm achieves methane FE of 85 % and 1.2 A/cm2 partial current density DFT computations demonstrate dominant Cu (111) facet at extremely small sizes Strong chemisorption of ethylene and ethane observed on Cu nanoclusters (Cu NC) Selectivity shifts from ethylene to methane as particle size decreases Cu NC with 0.5 nm achieves methane FE of 85 % and 1.2 A/cm2 partial current density Carbon dioxide offers a unique opportunity as a feedstock for energy production through electrocatalysis. Methane production holds promise for its widespread applications and market demand. However, commercial viability faces challenges of low selectivity, current density, and high applied potential. Efforts to improve methane selectivity while suppressing

• DFT computations demonstrate dominant Cu (111) facet at extremely small sizes • Strong chemisorption of ethylene and ethane observed on Cu nanoclusters (Cu NC) • Selectivity shifts from ethylene to methane as particle size decreases • Cu NC with 0.5 nm achieves methane FE of 85 % and 1.2 A/cm2 partial current density DFT computations demonstrate dominant Cu (111) facet at extremely small sizes Strong chemisorption of ethylene and ethane observed on Cu nanoclusters (Cu NC) Selectivity shifts from ethylene to methane as particle size decreases Cu NC with 0.5 nm achieves methane FE of 85 % and