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Effect of Feature Selection on Data-Driven Prediction of Catalyst Performance: A Case Study on Methanol Formation from Thermocatalytic CO2 Hydrogenation on Cu-Based Catalysts
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Microkinetic Comparison of CO2 Hydrogenation to Methanol over Unsupported and Supported Subnanometer Pdx Clusters
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Microkinetic Comparison of CO2 Hydrogenation to Methanol over Unsupported and Supported Subnanometer Pdx Clusters

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Abstract:

A promising approach to meet rising energy demands while mitigating environmental risks from greenhouse gases is the conversion of carbon dioxide into methanol through CO2 hydrogenation. Previous studies have demonstrated that unsupported subnanometer Pdx clusters exhibit excellent performance in this conversion. However, the influence of support materials on the activity of Pd clusters remains poorly understood. In this study, we compare the kinetics of CO2 hydrogenation to methanol using unsupported Pd7 clusters and those supported by metal oxides, specifically Pd4/In2O3(110) and Pd3/TiO2(110). Microkinetic simulations, based on available energetic data from the literatures, reveal that Pd4/In2O3(110) delivers superior kinetic performance, followed by Pd7 and Pd3/TiO2(110). These findings demonstrate that the choice of support material plays a critical role in dictating the reaction pathway and rate for supported Pd cluster catalysts.

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Engineering Chemistry Vol. 13 View Preview

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Periodical:

Engineering Chemistry (Volume 13)

Pages:

7-14

DOI:

https://doi.org/10.4028/p-RvQ1bZ

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Online since:

February 2026

Authors:

Dzaki Ahmad Syaifullah, Muhammad Arkan Nuruzzahran, Abel Pradipta Wijaya, Azhar Ikhtiarudin, Reva Budiantono, Muhammad Haris Mahyuddin, Adhitya Gandaryus Saputro*

Keywords:

CO2 Hydrogenation, Methanol, Microkinetic, Subnanometer Pd Cluster, Transition Metal Oxides

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* - Corresponding Author

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