Difference in reaction mechanism between ZnZrO and InZrO for CO hydrogenation.

Oxide solid-solution catalysts, such as Zn-doped ZrO (ZnZrO) and In-doped ZrO (InZrO), exhibit distinctive catalytic capabilities for CHOH synthesis CO hydrogenation. We investigated the active site structures of these catalysts and their associated reaction mechanisms using both experimental and computational approaches. Electron microscopy and X-ray absorption spectroscopy reveal that the primary active sites are isolated cations, such as Zn and In, dissolved in tetragonal ZrO.