Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
- Silvia Mauri*Silvia Mauri*Email: [email protected]CNR─Istituto Officina dei Materiali, TASC, I-34149Trieste, ItalyDepartment of Physics, University of Trieste, Via Valerio 2, 34127Trieste, ItalyMore by Silvia Mauri
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- Gianluca D’OlimpioGianluca D’OlimpioDepartment of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100L’Aquila, ItalyMore by Gianluca D’Olimpio
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- Corneliu GhicaCorneliu GhicaNational Institute of Materials Physics, Atomistilor 405A, 077125Magurele, RomaniaMore by Corneliu Ghica
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- Luca Braglia
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- Chia-Nung KuoChia-Nung KuoDepartment of Physics, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan70101, TaiwanTaiwan Consortium of Emergent Crystalline Materials, Ministry of Science and Technology, Taipei10601, TaiwanMore by Chia-Nung Kuo
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- Marian Cosmin IstrateMarian Cosmin IstrateNational Institute of Materials Physics, Atomistilor 405A, 077125Magurele, RomaniaMore by Marian Cosmin Istrate
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- Chin Shan LueChin Shan LueDepartment of Physics, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan70101, TaiwanTaiwan Consortium of Emergent Crystalline Materials, Ministry of Science and Technology, Taipei10601, TaiwanMore by Chin Shan Lue
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- Luca OttavianoLuca OttavianoDepartment of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100L’Aquila, ItalyMore by Luca Ottaviano
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- Tomasz KlimczukTomasz KlimczukDepartment of Solid-State Physics, Gdansk University of Technology, 80-233Gdansk, PolandMore by Tomasz Klimczuk
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- Danil W. BoukhvalovDanil W. BoukhvalovCollege of Science, Institute of Materials Physics and Chemistry, Nanjing Forestry University, Nanjing210037, People’s Republic of ChinaMore by Danil W. Boukhvalov
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- Antonio Politano*Antonio Politano*Email: [email protected]Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, 67100L’Aquila, ItalyMore by Antonio Politano
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- Piero Torelli*Piero Torelli*Email: [email protected]CNR─Istituto Officina dei Materiali, TASC, I-34149Trieste, ItalyMore by Piero Torelli
Abstract
Hydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution transmission electron microscopy. We discovered that the catalytic reaction is driven by surface tin-oxide phases, which protects the underlying Ni atoms from irreversible chemical modifications, increasing the catalyst durability. Moreover, we found that Sn content plays a key role in enhancing the H2 selectivity, with respect to secondary products such as CO2. These findings open new perspectives for the engineering of scalable and low-cost catalysts for hydrogen production.
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