The role of hydrogen adsorption site diversity in catalysis on transition-metal phosphide surfaces

DY Kuo, E Nishiwaki, RA Rivera-Maldonado… - ACS …, 2022 - ACS Publications
Hydrogen production via clean technologies such as water electrolysis, and its use in the
synthesis of value-added chemicals (eg, ammonia production), play a critical role in the …

Calculations of the effect of catalyst size and structure on the electrocatalytic reduction of CO 2 on Cu nanoclusters

GR Weal, KI Guðmundsson, FD Mackenzie, JR Whiting… - Nanoscale, 2024 - pubs.rsc.org
The structure and catalytic properties of Cu nanoclusters of sizes between 55 and 147 atoms
were examined to understand if small Cu clusters could provide enhancement over …

Toward Low-Temperature Heterogeneous Hydrogenation of Carbonyl Compounds: Molecular Systems for Reversible Hydrogen Storage

S Schauermann - ACS Catalysis, 2023 - ACS Publications
Hydrogenation of carbonyl compounds to alcohols is an important step in many
technological applications, including the emerging molecular systems for reversable …

Direct measurement of the hydrogen adsorption entropy on shape-controlled Pt nanoparticles using electrochemical microcalorimetry

LE Botello, M Schönig, J Solla-Gullón… - Journal of Materials …, 2024 - pubs.rsc.org
Platinum nanoparticles are indispensable in electrochemical applications, eg, for the
generation and usage of green hydrogen. Therefore, understanding the properties of these …

Scaling platinum‐catalyzed hydrogen dissociation on corrugated surfaces

SV Auras, R van Lent, D Bashlakov… - Angewandte …, 2020 - Wiley Online Library
We determine absolute reactivities for dissociation at low coordinated Pt sites. Two curved Pt
(111) single‐crystal surfaces allow us to probe either straight or highly kinked step edges …

Formation and real-space distribution of acetophenone dimers on H-containing Pt (111)

MC Schmidt, S Attia, C Schröder… - The Journal of …, 2021 - ACS Publications
We present a mechanistic study on the formation and real-space distribution of
acetophenone dimers on the H-containing Pt (111) surface. Their geometric configuration …

Methylidyne adsorption on Pt (211) probed by reflection absorption infrared spectroscopy (RAIRS)

H Vejayan, A Gutiérrez-González… - The Journal of …, 2022 - ACS Publications
Methylidyne, CH (ads), adsorbed on a Pt (211) surface and its interaction with chemisorbed
hydrogen atoms was studied by reflection absorption infrared spectroscopy (RAIRS) …

Quasi-equilibrium predictions of water desorption kinetics from rapidly-heated metal oxide surfaces

K Leung, LJ Criscenti… - Journal of Physics …, 2020 - iopscience.iop.org
Controlling sub-microsecond desorption of water and other impurities from electrode
surfaces at high heating rates is crucial for pulsed power applications. Despite the short time …

Chiral Surface Characterisation and Reactivity Toward H–D Exchange of a Curved Platinum Crystal

T Roorda, SV Auras, LBF Juurlink - Topics in Catalysis, 2020 - Springer
Understanding heterogeneous catalysis at the atomic level requires detailed knowledge of
the reactivity of different surface sites toward specific bond breaking and bond making …

Sicl4 Hydrogenation to Sihcl3 on Cu3si Catalyst: Effects of Crystal Plane and Active Site Structure on the Activity and Selectivity

M Peng, H Zhang, J Li, C Zi, X Liang, W Li… - Available at SSRN … - papers.ssrn.com
Exploring microstructure of intermetallic compounds is critical in heterogeneous catalysis.
Density functional theory is performed to deeply understand the structure–function …