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Publications associées (30)

Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction

Alfredo Pasquarello, Julia Anna Wiktor, Sai Lyu

We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...

AMER CHEMICAL SOC2022

Passive Perching with Energy Storage for Winged Aerial Robots

Dario Floreano, Yegor Piskarev, William John Stewart, Luca Guarino

Perching in unmanned aerial vehicles (UAVs) offers the possibility of extending the range of aerial robots beyond the limits of their batteries. It has been a topic of intense study for multirotor UAVs. Perching in winged UAVs is harder because a kinetic e ...

2021

The effects of model complexity and size on metabolic flux distribution and control: case study in Escherichia coli

Vassily Hatzimanikatis, Georgios Fengos, Tuure Eelis Hameri

Background Significant efforts have been made in building large-scale kinetic models of cellular metabolism in the past two decades. However, most kinetic models published to date, remain focused around central carbon pathways or are built around ad hoc re ...

BMC2021

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation

Rainer Beck

The probability for dissociation of molecules on metal surfaces, which often controls the rate of industrially important catalytic processes, can depend strongly on how energy is partitioned in the incident molecule. There are many example systems where th ...

2021

Studies of cold chemistry in crossed and merged neutral beams

Silvia Tanteri

In this thesis we present the design of two setups to study low-energy collisions between neutral species: an electron velocity map imaging for chemi-ionisation reactions and a merged electrostatic guide for polar molecules scattering. In the past few yea ...

EPFL2021

Hydrogen production on demand by redox-mediated electrocatalysis: A kinetic study

Hubert Girault, Sunny Isaïe Maye, Danick Reynard

Producing hydrogen from water using a redox mediator on solid electrocatalyst particles in a reactor offers several advantages over classical electrolysis in terms of safety, membrane degradation, purity and flexibility. Herein, vanadium-mediated hydrogen ...

ELSEVIER SCIENCE SA2021

Study of He/Ne+Ar, Kr, N2, H2, D2 Chemi-Ionization Reactions by Electron Velocity-Map Imaging

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

The chemi-ionization of Ar, Kr, N2, H2, and D2 by Ne(3P2) and of Ar, Kr, and N2 by He(3S1) was studied by electron velocity map imaging (e-VMI) in a crossed molecular beam experiment. A curved magnetic hexapole was used to state-select the metastable speci ...

2021

Low-energy stereodynamics of ion-forming reactions

Junwen Zou

In this thesis, an experimental study of low-temperature stereodynamics in the reactive scattering of Ne(3P2) + X collisions (X = Ar, Kr, Xe, CO and N2) is presented. The steric effect of Ne(3P2) in these reactions is observed experimentally using a contro ...

EPFL2021

Moment approach of the multi-species non-linear Coulomb collision operator adapted to particle-in-cell codes

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Moahan Murugappan, Noé Thomas Elie Ohana, Claudio Gheller

In this article an approximated version of the multi-species, non-linear Coulomb collision operator is derived via the use of a truncated moment expansion of the distribution function to compute the Rosenbluth potentials. The evolution of the distribution ...

2021

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

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