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March 12, 2026Nature Communications3 citationsOpen Access

Site-defined Cu-O ensembles enable hydrogen-conserving light-driven ethane upgrading

QZQingqing ZhangCLCong LiuCXChang Xu

Key Points

  • This research aims to develop a light-driven method for upgrading ethane through effective C-H bond activation.
  • Introduced Cu-doped TiO<sub>2</sub> for ethane dehydrogenation
  • Created site-specific [Cu-O] ensembles for C-H activation
  • Utilized photogenerated holes to initiate C-H cleavage
  • Co-fed CO<sub>2</sub> to restore Cu coordination and suppress deactivation
  • Achieved C<sub>2</sub>H<sub>4</sub> production rate of 21.1 mmol g<sup>-1</sup> h<sup>-1</sup>
  • Maintained nearly stoichiometric H<sub>2</sub> evolution
  • Demonstrated apparent quantum efficiency of 6.1% under 365 nm illumination
  • Showed successful suppression of catalyst deactivation during the process

Abstract

Upgrading light alkanes to value-added olefins is a long-standing challenge, owing to the high stability of C-H bonds and the tendency for overoxidation at elevated temperatures. Here, we introduce a light-driven strategy for ethane dehydrogenation using Cu-doped TiO2, in which atomically dispersed Cu coordinated to bridging oxygen (Obr-Cu) creates well-defined Cu-O ensembles that orchestrate site-specific, stepwise C-H activation. Photogenerated holes localize at Obr-Cu sites to initiate the first C-H cleavage, while adjacent Cu centers mediate β-H elimination and H2 evolution. In contrast, minor β-H activation at Obr-Ti sites generates *H species that cannot desorb due to a prohibitive coupling barrier with *H on Obr-Cu, leading to Cu reduction and progressive deactivation. Co-feeding CO2 restores the active Cu coordination environment and suppresses this deactivation process without perturbing the primary reaction pathway. This cooperative design achieves a C2H4 production rate of 21.1 mmol g-1 h-1 with nearly stoichiometric H2 evolution and an apparent quantum efficiency of 6.1% under 365 nm irradiation. These findings establish a site-defined, hydrogen-conserving route for photocatalytic alkane upgrading, offering a general blueprint for selective C-H bond transformations with long-term stability.

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/69b2586696eeacc4fcec803bhttps://doi.org/10.1038/s41467-026-70416-0
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