Publications associées à Structural assignments of NMR chemical shifts in GexSe1-x glasses via first-principles calculations for GeSe2, Ge4Se9, and GeSe crystals

Circularity by stock in Sri Lanka: Economic necessity meets urban fabric renovation

Persistent fiscal and political mismanagement, together with the financial pressures of the COVID-19 pandemic, have driven Sri Lanka into a social and economic crisis triggering a decrease in national foreign exchange reserves, an inability to purchase vit ...

FRONTIERS MEDIA SA2023

A geometrically exact model for thin magneto-elastic shells

Pedro Miguel Nunes Pereira de Almeida Reis, Matteo Pezzulla, Dong Yan

We develop a reduced model for hard-magnetic, thin, linear-elastic shells that can be actuated through an external magnetic field, with geometrically exact strain measures. Assuming a reduced kinematics based on the Kirchhoff-Love assumption, we derive a r ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Statistical potentials from the Gaussian scaling behaviour of chain fragments buried within protein globules

Stefano Zamuner

Knowledge-based approaches use the statistics collected from protein data-bank structures to estimate effective interaction potentials between amino acid pairs. Empirical relations are typically employed that are based on the crucial choice of a reference ...

PUBLIC LIBRARY SCIENCE2022

Energy-based comparison between the Fourier-Galerkin method and the finite element method

Thomas Willem Jan de Geus

The Fourier-Galerkin method (in short FFTH) has gained popularity in numerical homogenisation because it can treat problems with a huge number of degrees of freedom. Because the method incorporates the fast Fourier transform (FFT) in the linear solver, it ...

ELSEVIER2020

Colloidal-ALD-Grown Core/Shell CdSe/CdS Nanoplatelets as Seen by DNP Enhanced PASS-PIETA NMR Spectroscopy

David Lyndon Emsley, Brennan James Walder, Laura Piveteau

Ligand exchange and CdS shell growth onto colloidal CdSe nanoplatelets (NPLs) using colloidal atomic layer deposition (c-ALD) were investigated by solid-state nuclear magnetic resonance (NMR) experiments, in particular, dynamic nuclear polarization (DNP) e ...

2020

Activation of small molecules promoted by multimetallic complexes supported by redox active ligands

Davide Toniolo

The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...

EPFL2020

Model-based interpretation of floor vibrations for indoor occupant tracking

Ian Smith, Yves Sylvain Gilles Reuland, Slah Drira

Information regarding occupant flows inside buildings is beneficial for applications such as thermal-load control, market research and security enhancement. Existing methodologies for occupant tracking involve data-driven techniques that rely either on rad ...

2019

Measurement data interpretation and prediction for optimal management of bridges

Marco Proverbio

For many developed countries, the asset management of aging infrastructure continues to present challenges and risks. Around the world, built-environment assets such as bridges, require functional changes and future-proofing in order to accommodate new and ...

EPFL2019

High-fat diet consumption alters energy metabolism in the mouse hypothalamus

Rolf Gruetter, João Miguel das Neves Duarte, Antoine Timothée Cherix, Blanca Lizarbe Serra, Jean-René Cardinaux

BACKGROUND/OBJECTIVES: High-fat diet consumption is known to trigger an inflammatory response in the hypothalamus, which has been characterized by an initial expression of pro-inflammatory genes followed by hypothalamic astrocytosis, microgliosis, and the ...

2019

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

An Automatic, Data-Driven Definition of Atomic-Scale Structural Motifs

Piero Gasparotto

Structure-property relationships at the atomic scale are usually understood in terms of recurrent structural motifs formed by atoms and molecules, and how they transform and interact with each other. We introduce with this thesis a novel analysis approach, ...

EPFL2018

Multilaser Conformer-Selective Spectroscopy of Cold Biomolecular Ions in the Gas Phase

Aleksandr Pereverzev

Proteins and even small peptides play crucial role in almost any biological. Biological activity and functionality of these building blocks of life are determined not only by their primary structure, but also by their 3D orientation â secondary, tertiary ...

EPFL2017

Approaches to analyze structural issues of the European DEMO Toroidal Field Coil System at an early design stage

Kamil Sedlák

Because of its ambitious goals, the DEMO project faces many technical challenges. The mechanical performance of the superconducting toroidal field coil (TFC) system is mostly determined by the high electromagnetic forces. A structural evaluation of the TFC ...

IEEE Institute of Electrical and Electronics Engineers2016

Exotic Kondo crossover in a wide temperature region in the topological Kondo insulator SmB6 revealed by high-resolution ARPES

Joël Mesot, Kazimierz Conder, Jan Hugo Dil

Temperature dependence of the electronic structure of SmB6 is studied by high-resolution angle-resolved photoemission spectroscopy (ARPES) down to 1 K. We demonstrate that there is no essential difference for the dispersions of the surface states below and ...

Amer Physical Soc2014

Comparison of vacancy and antisite defects in GaAs and InGaAs through hybrid functionals

Alfredo Pasquarello, Hannu-Pekka Komsa

The formation energies and charge transition levels of vacancy and antisite defects in GaAs and In0.5Ga0.5As are calculated through hybrid density functionals. In As-rich conditions, the As antisite is the most stable defect in both GaAs and InGaAs, except ...

2012

Evaluation of Cost-Effective Technologies for Highly Efficient Silicon-Based Solar Cells

Luca Gautero

The work underscores the feasibility of highly efficient silicon solar cell structures manufactured with high throughput machines. The main challenge consists in the implementation of more performant structures of intrinsic higher complexity. These structu ...

EPFL2010

Oxygen vacancy in monoclinic HfO2: A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments

Alfredo Pasquarello, Peter Broqvist

The authors calculate energy levels associated with the oxygen vacancy in monoclinic HfO2 using a hybrid density functional which accurately reproduces the experimental band gap. The most stable charge states are obtained for varying Fermi level in the HfO ...

AIP American Institute of Physics2006

Scanning tunneling spectroscopy at the single atom scale

Markus Ternes

This thesis reports measurements at the single atom scale by using low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS). Different sample systems where analyzed with normal conducting and superconducting tips. Chapter 2 presents the t ...

EPFL2006

Scanning tunneling microscopy of self-organized semiconductor quantum dots

This thesis is committed to the study of nanometer scale surface processes involved in the formation and evolution of self-organized semiconductor quantum dots. The aim is to contribute to a better understanding of the mechanisms influencing the final shap ...

EPFL2004