Hydrogen Evolution Reactions of Hydrocarbons and Hydroborons Promoted by Superatomic Nb Clusters.

J Phys Chem Lett

Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

Published: October 2024

AI Article Synopsis

  • Hydrogen evolution reactions are essential for generating sustainable hydrogen energy, and this study uncovers new reactions involving specific organic compounds and niobium cluster anions.
  • The research utilized advanced mass spectrometry to observe the reactions and clarify the transformation of ethyl acetylene, borane, and benzene into new products, providing real-time insights.
  • By combining experimental data with computational analysis, the study enhances our understanding of how these hydrocarbon and hydroboron molecules react with niobium clusters, which is important for improving hydrogen energy technologies.

Article Abstract

Hydrogen evolution reactions (HER) are crucial for producing renewable and ecological hydrogen energy. Here we report the finding that ethyl acetylene (CH), borane (BH), and benzene (CH) undergo drastic dehydrogenation reactions upon interaction with niobium cluster anions (Nb). This finding was enabled by our very sensitive and specialized mass spectrometer, which monitored the cluster ions and the resulting metal carbide and boride products in real time. Through mass spectrometry experiments and density functional theory computations, we delved into the varying reactivities of these common gas molecules with small Nb clusters and elucidated the underlying reaction mechanisms. These findings shed light on the HER mechanisms of hydrocarbon and hydroboron molecules on superatomic Nb clusters, furnishing valuable insights pertinent to the advancement of hydrogen energy resources.

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Source
http://dx.doi.org/10.1021/acs.jpclett.4c02120DOI Listing

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