Citation: Chongbei Wu, Benzhi Wang, Xuan Li, Jiaxuan Gu, Yihan Wu, Zhe Zhao, Pengfei Jia, Jizhou Jiang. Dual activation pathways based on OH-functionalized alk-Ti₃C₂ MXene/RuO_x boosting the hydrogen generation[J]. Chinese Chemical Letters, ;2025, 36(8): 111162. doi: 10.1016/j.cclet.2025.111162 shu

Dual activation pathways based on OH-functionalized alk-Ti₃C₂ MXene/RuO_x boosting the hydrogen generation

Chongbei Wu ^{a, 1} ,
Benzhi Wang ^{c, 1} ,
Xuan Li ^{a, 1} ,
Jiaxuan Gu ^a ,
Yihan Wu ^a ,
Zhe Zhao ^a ,
Pengfei Jia ^a ,
Jizhou Jiang ^{b, *,}

a.
Hebei Key Laboratory of Man-machine Environmental Thermal Control Technology and Equipment, Hebei Center for Industrial Energy-saving and Pollution Control Research, Hebei Vocational University of Technology and Engineering, Xingtai 054000, China
b.
School of Material Science and Engineering, Key Laboratory of Green Chemical Engineering Process of Ministry of Education, Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, China
c.
School of Mechanical Engineering and Institute of Advanced Machinery & Technology, Sungkyunkwan University, 2066 Seobu-ro, Suwon 16419, South Korea

027wit@163.com

Received Date: 5 December 2024
Revised Date: 26 March 2025
Accepted Date: 31 March 2025
Available Online: 31 March 2025

Figures(5)

A meticulous design of the local environment at the interface between active species and the support, aimed at optimizing the adsorption of H₂O molecules and BH₄⁻ anion, offers an ideal strategy for enhancing hydrogen generation via NaBH₄ hydrolysis through dual activation pathways. Theoretical predictions based on d-band center analysis and electron transfer calculations suggest that introducing -OH functional groups induce charge redistribution, enhancing charge concentration on alk-Ti₃C₂ and facilitating the adsorption and activation of dual active species, H₂O molecules and BH₄⁻ anion. Inspired by these predictions, the optimized alk-Ti₃C₂/RuO_x catalyst demonstrates the highest catalytic activity, achieving a hydrogen generation rate (HGR) of 9468 mL min⁻¹ g_cat.⁻¹. Both experimental data and theoretical analyses confirm that the -OH functional groups promote charge enrichment on alk-Ti₃C₂, optimizing the adsorption of H₂O molecules and BH₄⁻ anion, and reducing the dissociation energy barrier of the *OHH-TS intermediate. This dual activation pathways mechanism lowers the activation energy for NaBH₄ hydrolysis, significantly enhancing the HGR performance. These findings, guided by theoretical insights, establish alk-Ti₃C₂/RuO_x as an efficient catalyst for NaBH₄ hydrolysis and provide a strong foundation for future hydrogen generation catalyst designs.
- Alk-Ti₃C₂/RuO_x,
- NaBH₄ hydrolysis,
- Dual activation pathways,
- Theoretical calculation,
- Catalytic mechanism
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Dual activation pathways based on OH-functionalized alk-Ti3C2 MXene/RuOx boosting the hydrogen generation

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Dual activation pathways based on OH-functionalized alk-Ti₃C₂ MXene/RuO_x boosting the hydrogen generation