Hydrogen Chemisorption Isotherms on Platinum Particles at Catalytic Temperatures: Langmuir and Two-Dimensional Gas Models Revisited

• Published in: Journal of physical chemistry. C Vol. 123; no. 13; pp. 8447 - 8462
• Main Authors: García-Diéguez, Mónica, Hibbitts, David D, Iglesia, Enrique
• Format: Journal Article
• Language: English
• Published: American Chemical Society 04.04.2019

Density functional theory (DFT) and dihydrogen chemisorption uptakes at temperatures relevant to catalysis are used to determine and interpret adsorption enthalpies and entropies over a broad range of chemisorbed hydrogen (H*) coverages (0.1 ML to saturation) on Pt nanoparticles (1.6, 3.0, and 9.1 n...