Data for Grain Dimension Engineering of Cu Catalysts for Selective Syngas to Higher Alcohol Conversion A Promoter Free Route to Clean Liquid Fuels
Description
This dataset contains the experimental and characterization data supporting the research article titled “Grain Dimension Engineering of Copper Catalysts Dictates C–C Coupling for Selective Higher Alcohol Synthesis from Syngas”. The study focuses on the grain-size-dependent catalytic performance of promoter‑free Cu⁰ nanoparticles in the direct conversion of syngas (CO/H₂) to higher alcohols (C₂₊OH), with particular emphasis on the role of grain size in dictating C–C coupling selectivity. The dataset includes raw and processed data related to catalyst synthesis, structural and surface characterization, and catalytic performance evaluation. Specifically, it covers X‑ray diffraction (XRD) patterns, transmission electron microscopy (TEM) images, N₂ adsorption–desorption isotherms and pore size distribution (BET analysis), H₂ temperature‑programmed reduction (H₂‑TPR), NH₃ temperature‑programmed desorption (NH₃‑TPD), X‑ray photoelectron spectroscopy (XPS) spectra, and in situ diffuse reflectance infrared Fourier transform spectroscopy (in situ DRIFTS) results. Electrochemical measurements, including linear sweep voltammetry (LSV), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV), are also provided. Catalytic performance data, including CO conversion, product distribution, alcohol selectivity, and space‑time yield (STY) under different grain sizes, are also included. All catalytic tests were conducted at 280 °C and 4.0 MPa using a slurry‑bed reactor. These data support the conclusions that tuning Cu grain size tailors the Cu(100)/(111) interfacial structure and medium‑strength acid sites, upshifts the d‑band center, strengthens *CO adsorption, lowers C–C coupling barriers, and thereby promotes selective C₂₊OH formation.