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Exhaust Gases as Fluxing Agents for Palladium: Formation Enthalpies and Vapor Pressures of PdO, PdO2, Pd(CO)n (n = 1–3), Pd(NO)n (n = 1,2), Pd(OH)n (n = 1,2), HOPdNO, and 21 Other Species under Automotive Catalyst Aging Conditions
Unraveling the role of support surface hydroxyls and its effect on the selectivity of C2 species over Rh/γ-Al2O3 catalyst in syngas conversion: A theoretical study
Structural Characterization of Supported RhI(CO)2/γ-Al2O3Catalysts by Periodic DFT Calculations
Otello M. Roscioni, John M. Dyke and John Evans The Journal of Physical Chemistry C 130911121850001 (2013) https://doi.org/10.1021/jp405549k
Small gold species supported on alumina. A computational study of α‐Al2O3(0001) and γ‐Al2O3(001) using an embedded‐cluster approach
Vladimir A. Nasluzov, Tatyana V. Shulimovich, Aleksey M. Shor, Valery I. Bukhtiyarov and Notker Rösch physica status solidi (b) 247(5) 1023 (2010) https://doi.org/10.1002/pssb.200945452
Platinum Group Metal Adsorption on Clean and Hydroxylated Corundum Surfaces
Ludovic G. V. Briquet, C. Richard A. Catlow and Samuel A. French The Journal of Physical Chemistry C 113(38) 16747 (2009) https://doi.org/10.1021/jp904217b
Adsorption and diffusion of a single Pt atom on γ-Al2O3 surfaces
Links Between Single-Site Heterogeneous and Homogeneous Catalysis. DFT Analysis of Pathways for Organozirconium Catalyst Chemisorptive Activation and Olefin Polymerization on γ-Alumina
Alessandro Motta, Ignazio L. Fragalà and Tobin J. Marks Journal of the American Chemical Society 130(49) 16533 (2008) https://doi.org/10.1021/ja802439u
Adsorption and Protonation of CO2 on Partially Hydroxylated γ-Al2O3 Surfaces: A Density Functional Theory Study
Comparison of the Adsorption of Ni, Pd, and Pt on the (0001) Surface of α-Alumina
Ludovic G. V. Briquet, C. Richard A. Catlow and Samuel A. French The Journal of Physical Chemistry C 112(48) 18948 (2008) https://doi.org/10.1021/jp803540r
Atomic Scale Insights on Chlorinated γ-Alumina Surfaces
Mathieu Digne, Pascal Raybaud, Philippe Sautet, Denis Guillaume and Hervé Toulhoat Journal of the American Chemical Society 130(33) 11030 (2008) https://doi.org/10.1021/ja8019593
Nucleation ofPdn(n=1–5)clusters and wetting of Pd particles onγ−Al2O3surfaces: A density functional theory study
-Alumina Surfaces: the Role of Hydroxylation