Publications related to Activated complex

Hiding in Plain Sight: The Issue of Hidden Variables

Here we discuss "hidden variables", which are typically introduced during an experiment as a consequence of the application of two independent variables together to create a stimulus. With increased sophistication in modern chemical biology tools and relat ...

AMER CHEMICAL SOC2022

Similarities and Differences among Protein Dynamics Studied by Variable Temperature Nuclear Magnetic Resonance Relaxation

David Lyndon Emsley, Jayasubba Reddy Yarava, Andrea Bertarello, Baptiste Busi, François Freymond

Understanding and describing the dynamics of proteins is one of the major challenges in biology. Here, we use multifield variable-temperature NMR longitudinal relaxation (R-1) measurements to determine the hierarchical activation energies of motions of fou ...

AMER CHEMICAL SOC2021

Systematic investigations of uranium carbide composites oxidation from micro- to nano-scale: Application to waste disposal

Nhât-Tân Vuong

The production of radioisotope beams at the ISOLDE (Isotope Separator OnLine DEvice) facility at CERN is achieved by irradiating target materials (e.g. uranium carbides and metal foils) with protons. The materials are usually operated at temperatures above ...

EPFL2021

Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

Robin Tobias Andreas Mutschler

The aim of this thesis is to contribute to the development of analysis methods that enable an improved investigation of the CO2 hydrogenation reaction such as quantitative mass spectrometry and infrared thermography. Furthermore, the contribution is in the ...

EPFL2019

Design and characterization of variable stiffness structural joints

Gennaro Senatore

This paper presents design and characterization of a new type of structural joint which can vary its stiffness through actuation. Stiffness variation is employed to control the dynamic response of frame structures equipped with such joints. The joint is ma ...

2019

Dynamic wetting in pressure-infiltration of ceramic particle preforms by molten metal

Gionata Schneider

This thesis investigates the interaction between mechanically induced flow of a liquid metal into a porous solid, and kinetic effects at the triple line. The approach is experimental and focuses on metal-ceramic systems for which the literature gives value ...

EPFL2019

CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory

Rainer Beck, Ana Gutiérrez González, Helen Jane Chadwick

To be able to simulate activated heterogeneously catalyzed reactions on the edge and corner sites of nanoparticles, a method for calculating accurate activation barriers for the reactions is required. We have recently demonstrated that a semiempirical spec ...

2019

Solar cooking potential in Switzerland: Nodal modelling and optimization

Andreas Schueler, Josef Andreas Schuler, Dasaraden Mauree, Olivia Valérie Charlotte Bouvard, Luc Burnier, Jérémy Jacques Antonin Fleury, Timothée Chatelain, Samson Taylor

Solar cooking is one possible solution to reduce the domination of fossil fuel in the domestic sector and to benefit from renewable energy. This study assesses the solar cooking potential in Switzerland. A nodal model, based on energy balance equations of ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Quantum-state-controlled channel branching in cold Ne(3P2)+Ar chemi-ionization

Andreas Osterwalder, Sean Dennis Steven Gordon, Junwen Zou, Silvia Tanteri

A prerequisite to gain a complete understanding of the most basic aspects of chemical reactions is the ability to perform experiments with complete control over the reactant degrees of freedom. By controlling these, details of a reaction mechanism can be i ...

2018

CO2 hydrogenation reaction over pristine Fe, Co, Ni, Cu and Al2O3 supported Ru: Comparison and determination of the activation energies

Andreas Züttel, Noris André Gallandat, Emanuele Moioli, Wen Luo, Robin Tobias Andreas Mutschler

Fe, Co, Ni and Cu are the main non-noble industrially significant catalysts in the CO2 and CO gas phase hydrogenation reaction towards hydrocarbons and alcohols. These catalysts are typically supported on metal oxides such as SiO2, TiO2, Al2O3 and ZnO, in ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2018

Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)

William Curtin, Michael Frederick Francis

Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction e ...

Amer Chemical Soc2017

Activated Dissociation of HCl on Au(111)

We report zero-coverage reaction probabilities (S-0) for HCl dissociative adsorption on Au(111) obtained by the seeded molecular beam hot-nozzle method. For measurements at normal incidence with mean translational energies ranging from 0.94 to 2.56 eV (noz ...

Amer Chemical Soc2016

Morphology and composition of oxidized InAs nanowires studied by combined Raman spectroscopy and transmission electron microscopy

Anna Fontcuberta i Morral, Esther Alarcon Llado, Francesca Amaduzzi

importance for semiconductor nanowires because of the high surface-to-volume ratio and only little is known about the consequences of oxidation for these systems. Here, we study the properties of indium arsenide nanowires which were locally oxidized using ...

Institute of Physics2016

Hydrogen Desorption Kinetics in Metal Intercalated Fullerides

Andreas Züttel, Philippe Mauron

For different hydrogenated metal intercalated fullerides (Na10C60-H, Li12C60-H, and Li28C60-H) the activation energies for hydrogen desorption were determined by DSC. The Vyazovkin advanced method (VA) was used for the calculation of the reaction model fre ...

American Chemical Society2015

The catalyzed hydrogen sorption mechanism in alkali alanates

Andreas Züttel, Philippe Mauron, Shunsuke Kato, Elsa Callini

The hydrogen sorption pathways of alkali alanates were analyzed and a mechanism for the catalytic hydrogen sorption was developed. Gibbs free energy values of selected intermediate steps were calculated based on experimentally determined thermodynamic data ...

Royal Society of Chemistry2015

Reaction of bromine and chlorine with phenolic compounds and natural organic matter extracts - Electrophilic aromatic substitution and oxidation

Urs von Gunten, Eva Maria Rodriguez Franco

Phenolic compounds are known structural moieties of natural organic matter (NOM), and their reactivity is a key parameter for understanding the reactivity of NOM and the disinfection by-product formation during oxidative water treatment. In this study, spe ...

Elsevier2015

Carbon supported gold and silver: Application in the gas phase hydrogenation of m-dinitrobenzene

Lioubov Kiwi, Fernando Cardenas Lizana

We have studied the gas phase continuous hydrogenation of m-dinitrobenzene (m-DNB) over acid treated activated carbon (AC) supported Au and Ag prepared by deposition-precipitation. Temperature programmed reduction of a 1%wt. metal loading generated a broad ...

Elsevier Science Bv2015

Lithium Diffusion & Magnetism in Battery Cathode Material LixNi1/3Co1/3Mn1/3O2

Martin Mansson, Kamil Sedlák, Krunoslav Prsa

We have studied low-temperature magnetic properties as well as high-temperature lithium ion diffusion in the battery cathode materials LixNi1/3Co1/3Mn1/1O2 by the use of muon spin rotation/relaxation. Our data reveal that the samples enter into a 2D spin-g ...

Iop Publishing Ltd2014

Reactions of Grignard Reagents with Nitrous Oxide

Rosario Scopelliti, Kay Severin, Euro Solari, Alexander Tskhovrebov

The chemical activation of nitrous oxide (N2O) can be achieved by organocalcium, organosodium, and organolithium compounds. Grignard reagents, on the other hand, are believed to be inert. We demonstrate that this generalization is not correct. Some aliphat ...

American Chemical Society2014

Dynamics of gas phase Ne* + NH3 and Ne* + ND3 Penning ionisation at low temperatures

Andreas Osterwalder, Justinas Jankunas, Benjamin Bertsche

Two isotopic chemical reactions, Ne* + NH_3, and Ne* + ND_3, have been studied at low collision energies by means of a merged beams technique. Partial cross sections have been recorded for the two reactive channels, namely, Ne* + NH_3 → Ne + NH^+_3 + e −, ...

American Institute of Physics2014