Publications related to Surface Reactions are Crucial for Energy Storage

Molecular electrocatalysis at soft interfaces

The fundamental aspects of electrochemistry at liquid–liquid interfaces are introduced to present the concept of molecular electrocatalysis. Here, a molecular catalyst is adsorbed at the interface to promote a proton coupled electron transfer reaction such ...

Royal Society of Chemistry2010

Selective Formic Acid Decomposition for High-Pressure Hydrogen Generation: A Mechanistic Study

Paul Joseph Dyson, Gabor Laurenczy, Ning Yan, Céline Fellay

A homogenous catalytic system has been developed that efficiently and selectively decomposes formic acid into hydrogen and carbon dioxide. [Ru(H2O)6]2+, [Ru(H2O)6]3+ and RuCl3·xH2O are all excellent precatalysts in presence of TPPTS (TPPTS=meta-trisulfonat ...

2009

Recent Advances in the Liquid-Phase Synthesis of Metal Nanostructures with Controlled Shape and Size for Catalysis

Lioubov Kiwi

Recent advances in the liquid-phase synthesis of metal nanostructures of different sizes and shapes are reviewed regarding their catalytic properties. The controlled synthesis of nanostructures is based on the colloid chemistry techniques in the solution, ...

2009

Hydrogen storage and delivery: immobilization of a highly active homogeneous catalyst for the decomposition of formic acid to hydrogen and carbon dioxide

Paul Joseph Dyson, Gabor Laurenczy, Weijia Gan

The homogeneous catalytic system, based on water-soluble ruthenium(II)– TPPTS catalyst (TPPTS = meta-trisulfonated triphenylphosphine), selectively decomposes HCOOH into H2 and CO2 in aqueous solution. Although this reaction results in only two gas product ...

Springer Netherlands2009

Dynamics and Thermodynamics of a Novel Phase of NaAlH4

Nicola Marzari

We characterize a novel orthorhombic phase (gamma) of NaAlH4, discovered using first-principles molecular dynamics, and discuss its relevance to the dehydrogenation mechanism. This phase is close in energy to the known low-temperature structure and becomes ...

2009

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Pierre Vogel, Dean Markovic

The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...

2009

A thermodynamic solution model for calcium carbonate: Towards an understanding of multi-equilibria precipitation pathways

Paul Bowen, Jacques Lemaître, Marcel Donnet

Thermodynamic solubility calculations are normally only related to thermodynamic equilibria in solution. In this paper, we extend the use of such solubility calculations to help elucidate possible precipitation reaction pathways during the entire reaction. ...

Elsevier2009

Nitrogen fixation at passivated Fe nanoclusters supported by an oxide surface: Identification of viable reaction routes using density functional calculations

Alfredo Pasquarello, Harald Brune, Zeljko Sljivancanin

Using density-functional calculations, we investigate the possibility of ammonia synthesis at supported Fe nanoclusters along catalytic routes closely resembling those in biological nitrogen fixation. To achieve similar catalytic conditions as at the activ ...

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

Homogeneous catalytic decomposition of formic acid for high pressure hydrogen generation

Céline Fellay

The main obstacles in the widespread use of hydrogen as energetic alternative to fossil fuels are storage problems intrinsically linked to its extremely light and explosive nature. Since no ideal storage systems currently exist, reversible fixation of hydr ...

EPFL2008

Surface Reactions are Crucial for Energy Storage

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Molecular electrocatalysis at soft interfaces

Selective Formic Acid Decomposition for High-Pressure Hydrogen Generation: A Mechanistic Study

Recent Advances in the Liquid-Phase Synthesis of Metal Nanostructures with Controlled Shape and Size for Catalysis

Hydrogen storage and delivery: immobilization of a highly active homogeneous catalyst for the decomposition of formic acid to hydrogen and carbon dioxide

Dynamics and Thermodynamics of a Novel Phase of NaAlH4

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

A thermodynamic solution model for calcium carbonate: Towards an understanding of multi-equilibria precipitation pathways

Nitrogen fixation at passivated Fe nanoclusters supported by an oxide surface: Identification of viable reaction routes using density functional calculations

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

Homogeneous catalytic decomposition of formic acid for high pressure hydrogen generation

Recent Advances in the Liquid-Phase Synthesis of Metal Nanostructures with Controlled Shape and Size for Catalysis

Homogeneous catalytic decomposition of formic acid for high pressure hydrogen generation

Selective Formic Acid Decomposition for High-Pressure Hydrogen Generation: A Mechanistic Study

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

Dynamics and Thermodynamics of a Novel Phase of NaAlH4

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Molecular electrocatalysis at soft interfaces

Nitrogen fixation at passivated Fe nanoclusters supported by an oxide surface: Identification of viable reaction routes using density functional calculations

A thermodynamic solution model for calcium carbonate: Towards an understanding of multi-equilibria precipitation pathways

Hydrogen storage and delivery: immobilization of a highly active homogeneous catalyst for the decomposition of formic acid to hydrogen and carbon dioxide