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63 works

Work: Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

  1. A review on reforming bio-ethanol for hydrogen production

    Meng Ni, Dennis Y.C. Leung, Michael K.H. Leung

    Review article20072 citations
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  2. Ethanol oxidation on metal oxide-supported platinum catalysts

    Lucı́a M. Petkovic, Sergey N. Rashkeev, Daniel M. Ginosar

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  3. Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network

    Hui-Fang Wang, Zhi‐Pan Liu

    Article20082 citations
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  4. Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more

    Angelos Michaelides

    Article20062 citations
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  5. Converged properties of clean metal surfaces by all-electron first-principles calculations

    Juarez L. F. Da Silva, Catherine Stampfl, Matthias Scheffler

    Article20052 citations
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  6. Catalytic Conversion of Ethanol to Hydrogen Using Combinatorial Methods

    Shici Duan, Selim Şenkan

    Article20052 citations
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  7. On the Accuracy of DFT for Describing Hydrogen Bonds:  Dependence on the Bond Directionality

    Joel Ireta, Jörg Neugebauer, Matthias Scheffler

    Article20042 citations
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  8. Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

    Polina Tereshchuk, Juarez L. F. Da Silva

    ArticleAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 citations
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