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Resultats globals: 2 registres trobats en 0.02 segons.
Articles, 2 registres trobats
Articles 2 registres trobats  
1.
10 p, 2.2 MB Activity Trends in the Propane Dehydrogenation Reaction Catalyzed by MIII Sites on an Amorphous SiO2 Model : A Theoretical Perspective / Praveen, C. S. (Inter University Centre for Nano Materials and Devices. Cochin University of Science and Technology) ; Comas-Vives, Aleix (Universitat Autònoma de Barcelona. Departament de Química)
One class of particularly active catalysts for the Propane Dehydrogenation (PDH) reaction are well-defined M(III) sites on amorphous SiO. In the present work, we focus on evaluating the catalytic trends of the PDH for four M(III) single-sites (Cr, Mo, Ga and In) on a realistic amorphous model of SiO using density functional theory-based calculations and the energetic span model. [...]
2021 - 10.1007/s11244-021-01535-9
Topics in Catalysis, Vol. 65, Issue 1-4 (February 2022) , p. 242-251  
Registre complet - Creative Commons
2.
10 p, 4.2 MB Strain in Silica-Supported Ga(III) Sites : Neither Too Much nor Too Little for Propane Dehydrogenation Catalytic Activity / Praveen, C. S. (ETH Zürich. Department of Chemistry and Applied Biosciences) ; Borosy, A. P. (ETH Zürich. Department of Chemistry and Applied Biosciences) ; Copéret, Christophe (ETH Zürich. Department of Chemistry and Applied Biosciences) ; Comas-Vives, Aleix (Universitat Autònoma de Barcelona. Departament de Química)
Well-defined Ga(III) sites on SiO are highly active, selective, and stable catalysts in the propane dehydrogenation (PDH) reaction. In this contribution, we evaluate the catalytic activity toward PDH of tricoordinated and tetracoordinated Ga(III) sites on SiO by means of first-principles calculations using realistic amorphous periodic SiO models. [...]
2021 - 10.1021/acs.inorgchem.0c03135
Inorganic chemistry, Vol. 60, Issue 10 (May 2021) , p. 6865-6874  
Registre complet - Creative Commons

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