Oxygen-transfer from N2O to CO via Y-doped Ti2CO2 (MXene) monolayer at room temperature: Density functional theory and ab initio molecular simulation studies - Yu, Yang-Xin (Journal of colloid and interface science, 2025)
Keywords: Activation barrier; Energetic span; N2O reduction; Reaction descriptor; Transition-metal-doped MXene; N2O reduction; Transition-metal-doped MXene; Activation barrier; Energetic span; Reaction descriptor