Publications associées à Atomisme

Metal-Stabilized Boronate Ester Cages

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Erica Giraldi

Molecular cages with arylboronate ester caps at the vertices are described. The cages were obtained by metal-templated polycondensation reactions of a tris(2-formylpyridine oxime) ligand with arylboronic acids. Suited templates are triflate or triflimide s ...

2021

Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation

Shubhajit Das

Tetrel Lewis acids are a prospective alternative to commonly employed neutral boranes in frustrated Lewis pair (FLP) chemistry. While cationic tetrylium Lewis acids, being isolobal and iso(valence)electronic, are a natural replacement to boranes, neutral t ...

AMER CHEMICAL SOC2021

Modelling long-range interactions in multiscale simulations of ferromagnetic materials

Doghonay Arjmand

Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic approach handles th ...

SPRINGER2020

Investigation of the fine structure of antihydrogen

Shirit Cohen

At the historic Shelter Island Conference on the Foundations of Quantum Mechanics in 1947, Willis Lamb reported an unexpected feature in the fine structure of atomic hydrogen: a separation of the 2S(1/2) and 2P(1/2) states(1). The observation of this separ ...

2020

Atomistic-continuum coupling of random alloys

William Curtin, Till Junge, Shankha Nag

Random alloys are multicomponent systems where the atomic type on each lattice site is independent of the atom types on any other lattice site. The fluctuations in local atomic configurations inherent to the random alloy prevents the accurate application o ...

IOP PUBLISHING LTD2019

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Berend Smit, Daniele Ongari, Peter George Boyd, Amber Kashan Mace, Özge Kadioglu

Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small fraction of the resources needed to compute density functional (DFT)-derived charge ...

2019

Universal noise in continuous transport measurements of interacting fermions

Jean-Philippe Brantut

We propose and analyze continuous measurements of atom number and atomic currents using dispersive probing in an optical cavity. For an atom-number measurement in a closed system, we relate both the detection noise and the heating rate due to measurement b ...

2018

Functionalised metal-organic frameworks: a novel approach to stabilising single metal atoms

Andreas Züttel, Elsa Callini

We have investigated the potential of metal-organic frameworks for immobilising single atoms of transition metals using a model system of Pd supported on NH2-MIL-101(Cr). Our transmission electron microscopy and in situ Raman spectroscopy results give evid ...

Royal Society of Chemistry2017

Oriented O(3P2), Ne(3P2), and He(3S1) atoms emerging from a bent magnetic guide

Andreas Osterwalder, Justinas Jankunas

We describe our observation of strongly oriented total electronic angular momentum J in O(P-3(2)), Ne(P-3(2)), and He(S-3(1)) atoms emerging from a bent magnetic multipole guide, as measured by resonant multiphoton ionisation. This was contrary to our expe ...

Taylor & Francis2016

Haldane quantum Hall effect for light in a dynamically modulated array of resonators

Vincenzo Savona, Momchil Minkov

Topological insulators have attracted abundant attention for a variety of reasons-notably, the possibility for lossless energy transport through edge states "protected" against disorder. Topological effects such as the quantum Hall state can be induced thr ...

Optical Soc Amer2016

Nanoscale dynamics by short-wavelength four wave mixing experiments

Majed Chergui

Multi-dimensional spectroscopies with vacuum ultraviolet (VUV)/x-ray free-electron laser (FEL) sources would open up unique capabilities for dynamic studies of matter at the femtosecond-nanometer time-length scales. Using sequences of ultrafast VUV/x-ray p ...

Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2013

Quantum transport through single atoms and molecules

Klaus Kern, Yi Zhang, Peter Wahl

Experiments on quantum transport in a low temperature scanning tunneling microscope provide the possibility to study atomic and molecular contacts with well-defined electrode-geometry at least for one of the contacts, the surface. Here, we show for a numbe ...

Wiley-V C H Verlag Gmbh2013

Polarity Assignment in ZnTe, GaAs, ZnO, and GaN-AlN Nanowires from Direct Dumbbell Analysis

Anna Fontcuberta i Morral, Martin Heiss, Bo Peng

Aberration corrected scanning transmission electron microscopy (STEM) with high angle annular dark field (HAADF) imaging and the newly developed annular bright field (ABF) imaging are used to define a new guideline for the polarity determination of semicon ...

American Chemical Society2012

Relative Efficiency of Stochastic and Genetic Algorithms for Characterizing Clusters with Unique Bonding Patterns

Fabrice Avaltroni

This thesis investigates the relative efficiencies of two isomeric search procedures to survey potential energy surfaces with the objective of rapidly assessing the relevancy of compounds possessing atypical structural patterns. Variants of both the standa ...

EPFL2012

Dissociation dynamics of singly charged vortices into half-quantum vortex pairs

Benoît Marie Joseph Deveaud, Vincenzo Savona, Timothy Chi Hin Liew, Konstantinos Lagoudakis, Francesco Manni

The quest for identification and understanding of fractional vorticity is a major subject of research in the quantum fluids domain, ranging from superconductors, superfluid Helium-3 to cold atoms. In a two-dimensional Bose degenerate gas with a spin degree ...

Nature Publishing Group2012

Atomic structure of the two intermediate phase glasses SiSe4 and GeSe4

Alfredo Pasquarello

The microscopic origin of the intermediate phase in two prototypical covalently bonded A(x)B(1-x) network glass forming systems, where A=Ge or Si, B=Se, and 0

2009

Synergistic effects of PKA and helium on primary damage formation in Fe-0.1%He

Robin Schäublin, Zhongwen Yao, Gang Yu

Molecular dynamics (MD) simulation of displacement cascades in Fe-0.1%He are used to investigate the synergistic effects of primary knock-on atoms (PKA) and He on the irradiation damage production at temperatures between 10 K and 523 K. The results indicat ...

2007

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