Mechanistic Insights into Near Ambient Pressure Activity of Intermetallic NiZn/TiO2 Catalyst for CO2 Conversion to Methanol

Abstract Ni−Zn pair is predicted through descriptor‐based studies to be conducive for CO 2 hydrogenation. In this study, NiZn (1 : 1) intermetallics supported on TiO 2 is identified as a potential candidate for near ambient pressure activity. The effect of reduction temperature on the catalyst textural properties as well as on CO 2 to methanol reduction are explored. Structural and microscopic studies provide clear evidence of phase evolution of NiZn alloy with increasing reduction temperatures, along with phase variations of Zn based oxides. Interface between NiZn intermetallics and ZnO nanoparticles observed at reduction temperature of 550 °C, seems to play a crucial role in making this system most active and selective to methanol. In addition, in‐situ IR studies provide mechanistic insights and indicates the formation of methanolic species even at ambient pressure.