water and Cu+ synergy in selective CO2 hydrogenation to methanol over Cu/MgO catalysts

This dataset was created to investigate the role of surface water and hydroxyl groups in facilitating spontaneous CO₂ activation at Cu⁺ sites and the formation of monodentate formate species in the context of using CO2 hydrogenation to produce methanol.

本数据集旨在探究表面水及羟基在促进Cu⁺位点自发CO₂活化以及形成单齿甲酸盐物种过程中的作用，在利用CO₂加氢生产甲醇的背景下开展研究。