Single Atom Catalysis Enables Preferential Middle-Ring Dehydrogenation of Perhydro-Dibenzyltoluene for Low-Temperature Hydrogen Production.

Authors

Ligang Zhang, Fan Wang, Hongchen Cao, Xiaoyan Liu, Sicong Qiu, Zhounan Yu, Xiaoxue Ren, Nian Lei, Pengfei Li, Bin Liu, Kuo Liu, Tao Zhang

Published in

Angewandte Chemie (International ed. in English). Pages e6119233. Aug 28, 2026. Epub Aug 28, 2026.

Abstract

Hydrogen (H₂) storage/release using dibenzyltoluene/perhydro-dibenzyltoluene (DBT/H18-DBT) provides a safe route for H₂ transportation but suffers from high dehydrogenation temperature due to the large C-H dissociation energy of the H18-DBT side rings. In this work, we design a single Pt atom catalyst with well controlled Pt-O coordination number (CN_Pt-O). The Pt single atom catalyst (SAC) with CN_Pt-O ≈ 4 on the step site of CeO₂ results in a unique reaction mechanism of preferential dehydrogenation of the H18-DBT middle ring, enabling H₂ production from H18-DBT at 200°C - a temperature far below those reported in the literature (≥ 260°C), which achieves a 7 times higher H₂ evolution rate ( $r_{H_2}$ ) of 83430.0 mol_H2 mol_Pt ^-1 h^-1 at 300°C as compared to the published values with stable H18-DBT conversion of ∼90% during 50 repeated hydrogen storage/release cycles.

PMID:
42664079
Bibliographic data and abstract were imported from PubMed on 29 Aug 2026.

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