Model studies of heterogeneous catalytic hydrogenation reactions with gold

M Pan, AJ Brush, ZD Pozun, HC Ham, WY Yu… - Chemical Society …, 2013 - pubs.rsc.org
Supported gold nanoparticles have recently been shown to possess intriguing catalytic
activity for hydrogenation reactions, particularly for selective hydrogenation reactions …

Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study

P Ferrin, S Kandoi, AU Nilekar, M Mavrikakis - Surface science, 2012 - Elsevier
Periodic, self-consistent DFT-GGA (PW91) calculations are used to study the interaction of
hydrogen with different facets of seventeen transition metals—the (100) and (111) facets of …

Diffraction of molecular hydrogen from metal surfaces

D Farías, R Miranda - Progress in Surface Science, 2011 - Elsevier
The dissociative chemisorption of hydrogen at metal surfaces is the first step in the surface
chemistry of heterogeneous catalysis. Up to now, most of our understanding of this process …

Atomic and molecular adsorption on Ru (0001)

JA Herron, S Tonelli, M Mavrikakis - Surface science, 2013 - Elsevier
The adsorption properties of a variety of atoms (H, O, N, S, and C), molecules (N2, HCN, CO,
NO, and NH3) and molecular fragments (CN, NH2, NH, CH3, CH2, CH, HNO, NOH, and OH) …

Complex Interaction of Hydrogen with the RuO2(110) Surface

M Knapp, D Crihan, AP Seitsonen… - The Journal of …, 2007 - ACS Publications
Using a variety of dedicated surface sensitive techniques, we studied the interaction of
hydrogen with bare and adsorbate modified RuO2 (110) surfaces on the atomic scale …

Quantum effects in the diffusion of hydrogen on Ru (0001)

EM McIntosh, KT Wikfeldt, J Ellis… - The Journal of …, 2013 - ACS Publications
An understanding of hydrogen diffusion on metal surfaces is important not only for its role in
heterogeneous catalysis and hydrogen fuel cell technology but also because it provides …

How coverage influences thermodynamic and kinetic isotope effects for H 2/D 2 dissociative adsorption on transition metals

BWJ Chen, M Mavrikakis - Catalysis Science & Technology, 2020 - pubs.rsc.org
Isotope effects greatly enhance our understanding of chemical reactions in heterogeneous
catalysis. Despite their widespread use, there is limited understanding about how realistic …

Unveiling the mechanism of water partial dissociation on Ru (0001)

S Maier, I Stass, JI Cerdá, M Salmeron - Physical Review Letters, 2014 - APS
We have studied the mechanism of the partial dissociation of water on Ru (0001) by high
resolution scanning tunneling microscopy (STM). The thermal evolution of water at …

Electrochemical promotion of the hydrogenation of CO2 on Ru deposited on a BZY proton conductor

I Kalaitzidou, A Katsaounis, T Norby, CG Vayenas - Journal of Catalysis, 2015 - Elsevier
The kinetics and the electrochemical promotion of the hydrogenation of CO 2 on
polycrystalline Ru deposited on BZY (BaZr 0.85 Y 0.15 O 3− α+ 1 wt% NiO), a proton …

Permeation of a Single-Layer SiO2 Membrane and Chemistry in Confined Space

E Emmez, B Yang, S Shaikhutdinov… - The Journal of Physical …, 2014 - ACS Publications
Well-ordered, ultrathin silica films grown on metal substrates are composed of layers of
corner-sharing [SiO4] tetrahedra (silicatene). Yet unrealized in practice as unsupported …