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Publications associées (520)

Global uncertainty-sensitivity analysis on mechanistic kinetic models: From model assessment to theory-driven design of nanoparticles

Paul Bowen, Andrea Testino, Agnese Carino, Mohammad Reza Andalibi

Recently, we developed a population balance framework describing the precipitation of calcium-silicate-hydrate, a key nanomaterial in the construction industry and with potential applications in biomedicine, environmental remediation, and catalysis. In thi ...

2020

Surface Potential and Interfacial Water Order at the Amorphous TiO2 Nanoparticle/Aqueous Interface

Sylvie Roke, Arianna Marchioro, Marie Bischoff

Colloidal nanoparticles exhibit unique size-dependent properties differing from their bulk counterpart, which can be particularly relevant for catalytic applications. To optimize surface-mediated chemical reactions, the understanding of the microscopic str ...

AMER CHEMICAL SOC2020

Energy-based descriptors for photo-catalytically active metal–organic framework discovery

Berend Smit, Ivano Tavernelli, Gloria Capano, Maria Fumanal Quintana, Senja Dominique Barthel

Metal–organic frameworks (MOFs) consist of metal nodes that are connected by organic linkers. They are thus highly chemically tunable materials given the broad range of potential linkers and nodes that can be chosen for their synthesis. Their tunability ha ...

2020

Safe Mission Planning under Dynamical Uncertainties

Maryam Kamgarpour

This paper considers safe robot mission planning in uncertain dynamical environments. This problem arises in applications such as surveillance, emergency rescue, and autonomous driving. It is a challenging problem due to mod-eling and integrating dynamical ...

IEEE2020

Spin-Dependent Thermoelectric Transport in Cobalt-Based Heusler Alloys

Haiming Yu, Simon Granville, Junfeng Hu

Sitting at the intersection of spintronics and thermoelectricity, research investigating the coupling of thermoelectric, magnetic, and electrical transport properties in materials has recently found that the ferromagnetic Heusler alloys are the ideal testb ...

WILEY-V C H VERLAG GMBH2020

How to polarise an interface with ions: the discrete Helmholtz model

Hubert Girault, Astrid Johana Olaya Avendano, Grégoire Clément Gschwend

The distribution of electrolytes in an electric field usually relies on theories based on the Poisson-Boltzmann formalism. These models predict that, in the case of a metallic electrode, ionic charges screen the electrode potential, leading to concentratio ...

ROYAL SOC CHEMISTRY2020

Assessment of lifestyle changes for greenhouse gas emissions reduction in Switzerland

In light of the climate change crisis, this study looks at what actions can be done by individuals in Switzerland to reduce their carbon footprint. A total of 40 actions spanned over 6 areas of consumption (food, housing, mobility, at home leisure activiti ...

2020

Write Termination circuits for RRAM : A Holistic Approach From Technology to Application Considerations

David Atienza Alonso, Alexandre Sébastien Julien Levisse, Marco Antonio Rios

While Resistive Random Access Memories (RRAM) are perceived nowadays as a promising solution for the future of computing, these technologies suffer from intrinsic variability regarding programming voltage, switching speed and achieved resistance values. Wr ...

IEEE2020

Free-boundary MRxMHD equilibrium calculations using the stepped-pressure equilibrium code

Joaquim Loizu Cisquella

The stepped-pressure equilibrium code (SPEC) (Hudson et al 2012 Phys. Plasmas 19, 112 502) is extended to enable free-boundary multi-region relaxed magnetohydrodynamic (MRxMHD) equilibrium calculations. The vacuum field surrounding the plasma inside an arb ...

2020

Interplay of anomalous strain relaxation and minimization of polarization changes at nitride semiconductor heterointerfaces

Nicolas Grandjean, Jean-François Carlin, Raphaël Butté, Yi Wang

We present a methodology to quantify polarization and electron affinity changes at interfaces by combining scanning tunneling spectroscopy, off-axis electron holography in transmission electron microscopy (TEM), and self-consistent calculations of the elec ...

AMER PHYSICAL SOC2020

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