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Data · dataset · 2026

Effect of t-ZrO2/m-ZrO2 Phase Interfaces on the Stability of Ni/Ca-ZrO2 Catalysts for CO2 Methanation

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Nickel-based catalysts are considered among the most promising candidates for CO2 methanation; however, their tendency toward high-temperature sintering-induced deactivation remains a critical bottleneck for practical application.

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In this work, a series of Ni-based catalysts supported on mixed-phase t-ZrO2/m-ZrO2 nanocrystalline supports were firstly constructed via Ca doping and thermal treatment regulation. The catalyst calcined at 700 °C exhibited the best stability and low-temperature activity for CO2 methanation.

Comprehensive characterizations, including XRD, BET, XPS, TEM, H2-TPR/TPD, and CO2-TPD, revealed that increasing calcination temperature enhanced the Ca-promoted phase transformation from m-ZrO2 to t-ZrO2 and facilitated grain growth of both zirconia phases. At a calcination temperature of 700 °C, t-ZrO2 and m-ZrO2 crystallites in the support were both small and comparable in size, favoring the formation of mixed-phase interfaces.

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The m/t-ZrO2 interphase boundaries provided anchoring sites for Ni nanoparticles, which is identified as the primary reason for the superior high-temperature anti-sintering performance of the catalyst calcined at 700 °C. In addition, these mixed-phase interfaces optimized the local electronic structure and enriched oxygen vacancy defects, thereby lowering the apparent activation energy for CO2 activation and endowing the 700 °C calcined catalyst with the highest low-temperature CO2 methanation activity.

These findings demonstrate that constructing m/t-ZrO2 interphase boundaries through promoter engineering and thermal-treatment control is an effective strategy to stabilize Ni nanoparticles and enhance catalytic performance.

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