Interfacial engineering of ZrO2-coated mesoporous silica for highly dispersed MnO2 nanoparticles in NH3-SCR catalysis.

The NH3-SCR reaction remains a key strategy for NOx removal, yet its efficiency is often limited by the unstable dispersion of active metal species and insufficient control over surface acid sites. Mesoporous materials offer a promising platform to overcome these challenges due to their large surface areas, tunable pore environments, and strong spatial confinement effects. In this work, we employ a ZrO2 surface-modification approach to tailor the pore-wall chemistry of mesoporous silica and construct a robust support for MnO2 nanoparticles. The ZrO2 layer enhances interfacial interactions, while the mesoporous confinement preserves the nano-size and uniform dispersion of MnO2. XRD, DRIFTS, DFT calculations, and kinetic analyses demonstrate that ZrO2-MnO2 coupling promotes reactant activation, oxygen migration, and stronger surface acidity, thereby markedly improving NH3-SCR activity. This study underscores the potential of engineered mesoporous structures in addressing fundamental limitations of NH3-SCR catalysis.