Publications related to The electroreduction of hydrogen on platinum(111) in acidic media

Water adsorption on a sodium smectite clay surface: an ab initio study

John Christopher Plummer, Pascal Clausen

Using calculations based on density-functional theory, we explore the configurations that water molecules (2,3,4;6) assume on the surface a sodium 2:1 smectite clay with isomorphic substitutions both on octahedral and tetrahedral sheets. The hydrophilicity ...

2009

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Albert Renken, Lioubov Kiwi, Martin Grasemann

Systematic studies of mass transfer interactions with intrinsic reaction kinetics were performed for the threephase selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) over a modified Pd/CaC

{O}_{3}

catalyst under solvent ...

2008

Role of hydrogen in giant spin polarization observed on magnetic nanostructures

Harald Brune, Stefano Rusponi

We demonstrate that the giant spin contrast observed by scanning tunneling microscopy for double-layer Coislands on Pt(111) is caused by adsorbates at the apex of the Cr-coated W tip. The most likely candidate, in ab initio simulations, is hydrogen. Here, ...

2008

Stability and physical properties of alkylsilane and alkylphosphonate self-assembled monolayer (SAM) films on metal oxide substrates characterized at the micro- and nanoscale

Enamul Hoque

Self-assembled monolayer (SAM) films have attracted immense attention for both fundamental and applied research. A SAM is composed of a large number of molecules with a head group that chemisorbs onto a substrate, a tail group that interacts with the outer ...

EPFL2007

Ruthenium nanoparticles intercalated in hectorite: A reusable hydrogenation catalyst for benzene and toluene

Gabor Laurenczy, André Meister

The cationic organometallic aqua complexes formed by hydrolysis of [(C 6H6)RuCl2]2 in water, mainly [(C6H6)Ru(H2O)3]2+, intercalate into sodium hectorite by ion exchange, replacing the sodium cations between the anionic silicate layers. The yellow hectorit ...

2007

Proton dynamics in superprotonic CsHSO(4)

Nicola Marzari

We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor CsHSO(4) from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O-H chemical bonds, the O center dot cen ...

2007

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering

Nicola Marzari

A direct measure of hydrogen bonding in water under conditions ranging from the normal state to the supercritical regime is derived from first-principles calculations for the Compton scattering of inelastically scattered x rays. First, we show that a measu ...

2007

Catalytic hydrogenation of alkenes under biphasic conditions

Corinne Daguenet

Ruthenium(II)-arene diphosphine complexes are shown to be effective precursors for the catalytic hydrogenation of the C=C bond in an aqueous biphase using molecular hydrogen as the hydrogen source. A mechanistic study performed in water, utilizing high gas ...

EPFL2006

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

André Merbach, Lothar Helm, Gabor Laurenczy, Oleg Yazyev, Pascal Grundler

The ruthenium(II) hexaaqua complex [Ru(H2O)6]2+ reacts with dihydrogen under pressure to give the h2-dihydrogen ruthenium(II) pentaaqua complex [Ru(H2)(H2O)5]2+.The complex was characterized by 1H, 2H and 17O NMR: d H = -7.65 ppm, J HD = 31.2 Hz, d O = -80 ...

2006

Adsorption monitoring device

Hubert Girault, Jean-Pierre Abid

A device for monitoring the adsorption of target molecules on a substrate, the device comprising a substrate (1), at least a portion of which is formed as a thin dielectric layer. A first, modified surface (2) of the layer has ionizable groups of the subst ...

2006

The electroreduction of hydrogen on platinum(111) in acidic media

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Water adsorption on a sodium smectite clay surface: an ab initio study

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Role of hydrogen in giant spin polarization observed on magnetic nanostructures

Stability and physical properties of alkylsilane and alkylphosphonate self-assembled monolayer (SAM) films on metal oxide substrates characterized at the micro- and nanoscale

Ruthenium nanoparticles intercalated in hectorite: A reusable hydrogenation catalyst for benzene and toluene

Proton dynamics in superprotonic CsHSO(4)

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering

Catalytic hydrogenation of alkenes under biphasic conditions

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

Adsorption monitoring device

Stability and physical properties of alkylsilane and alkylphosphonate self-assembled monolayer (SAM) films on metal oxide substrates characterized at the micro- and nanoscale

Catalytic hydrogenation of alkenes under biphasic conditions

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

Proton dynamics in superprotonic CsHSO(4)

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering

Adsorption monitoring device

Water adsorption on a sodium smectite clay surface: an ab initio study

Ruthenium nanoparticles intercalated in hectorite: A reusable hydrogenation catalyst for benzene and toluene

Role of hydrogen in giant spin polarization observed on magnetic nanostructures