Dossier: Methodology for Process Development at IFP Energies nouvelles
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Figure 22.


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DFT results of the simulation of model reforming catalysts: a) calculated binding energy (including Pt-Pt cohesion and metal-support interaction) of Ptn clusters, isolated or supported on γ-Al2O3 [25]; the most stable Pt3 cluster supported on chlorinated γ-Al2O3 is shown in inset; b) effect of hydrogen pressure on the morphology change of supported Pt13 [33]; c) relative stabilities of adsorbed ethylene (H2CCH2) and ethylidyne (CCH3) on Pt13 supported cluster at various J = P(H2)/P(C2H6) values; insets: illustrations of adsorbed ethylene and ethylidyne at J = 1 [42]; d) models of supported PtSn catalysts, without (top) or with (bottom) indium incorporated in the support [23].

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