Design of catalysts for selective CO2 hydrogenation | Nature Synthesis

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CO2 hydrogenation with green hydrogen is a practical approach for the reduction of CO2 emissions and the generation of high-value-added chemicals. Generally, product selectivity is affected by the associated reaction mechanisms, internal catalyst identity and structure, and external reaction conditions. Here we examine typical CO2 hydrogenation reaction pathways, which can provide insight useful for the atomic-level design of catalysts. We discuss how catalyst chemical states, particle sizes, crystal facets, synergistic effects and unique structures can tune product selectivity. Different catalysts, such as Fe-, Co-, Ni-, Cu-, Ru-, Rh-, Pd-based and bifunctional structured catalysts, and their influence on CO2 hydrogenation products (such as CO, methane, methanol, ethanol and light olefins) are discussed. Beyond catalyst design, emerging catalytic reaction engineering methods for assisting the tuning of product selectivity are also discussed. Future challenges and perspectives in this field are explored to inspire the design of next-generation selective CO2 hydrogenation processes to facilitate the transition towards carbon neutrality.

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This work was supported by the Natural Science Foundation of Jiangxi Province for Distinguished Young Scholars (no. 20232ACB213001), Thousand Talents Plan of Jiangxi Province (no. jxsq2023101072), National Natural Science Foundation of China (nos. 22005296 and 22362022), National Key Research and Development Program of China (no. 2022YFA1504500) and the Natural Science Foundation of Jiangxi Province (no. 20224BAB213015). We also thank C. Li for academic guidance and support. This paper is dedicated to C. Li on the occasion of his 65th birthday.

Key Laboratory of Jiangxi Province for Environment and Energy Catalysis, Institute of Applied Chemistry, School of Chemistry and Chemical Engineering, Nanchang University, Nanchang, Jiangxi, People’s Republic of China

Runping Ye, Rongbin Zhang & Gang Feng

School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, Jiangsu, People’s Republic of China

Jie Ding

Department of Inorganic Chemistry and Material Sciences Institute of Seville, University of Seville-CSIC, Seville, Spain

Tomas Ramirez Reina

DICP-Surrey Joint Centre for Future Materials, School of Chemistry and Chemical Engineering, and Advanced Technology Institute, University of Surrey, Guilford, Surrey, UK

Melis Seher Duyar & Jian Liu

College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot, Inner Mongolia, People’s Republic of China

Haitao Li, Wenhao Luo & Jian Liu

Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning, People’s Republic of China

Haitao Li & Jian Sun

College of Engineering and Physical Sciences, School of Energy Resources, University of Wyoming, Laramie, WY, USA

Maohong Fan

College of Engineering, Georgia Institute of Technology, Atlanta, GA, USA

Maohong Fan

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R.Y. wrote the original draft. J.D., H.L. and R.Y. drew the diagrams. W.L., T.R.R. and M.S.D. contributed to the editing of the text. R.Z., M.F., G.F., J.S. and J.L. contributed to the conception and revision of the manuscript.

Correspondence to Maohong Fan, Gang Feng, Jian Sun or Jian Liu.

The authors declare no competing interests.

Nature Synthesis thanks Feng-Shou Xiao and the other, anonymous, reviewer(s) for their contribution to the peer review of this work. Primary Handling Editor: Alexandra Groves, in collaboration with the Nature Synthesis team.

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Ye, R., Ding, J., Reina, T.R. et al. Design of catalysts for selective CO2 hydrogenation. Nat. Synth (2025). https://doi.org/10.1038/s44160-025-00747-1

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Received: 16 June 2024

Accepted: 23 January 2025

Published: 27 February 2025

DOI: https://doi.org/10.1038/s44160-025-00747-1

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Design of catalysts for selective CO2 hydrogenation | Nature Synthesis