Publications associées à Surface reconstruction

Near-atomic resolution reconstructions from in situ revitrified cryo samples

Marcel Drabbels, Ulrich Lorenz, Gabriele Bongiovanni, Jonathan Mark Voss, Oliver Florian Harder

A microsecond time-resolved version of cryo-electron microscopy (cryo-EM) has recently been introduced to enable observation of the fast conformational motions of proteins. The technique involves locally melting a cryo sample with a laser beam to allow the ...

2023

Electronic Structure of InAs and InSb Surfaces: Density Functional Theory and Angle-Resolved Photoemission Spectroscopy

Gabriel Aeppli, Vladimir N. Strocov

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces is studied ...

WILEY2022

Magnetic Properties of Surface Adsorbed Metal Adatoms and Dimers

Dante Philippe Sblendorio

This thesis investigates the magnetic properties of single atoms and dimers adsorbed on graphene and oxide decoupling layers supported by single crystal metal substrates, using scanning tunneling microscopy (STM) and spin-polarized scanning tunneling micro ...

EPFL2022

In Situ Monitoring of the Surface Evolution of a Silver Electrode from Polycrystalline to Well-Defined Structures

Yunchang Liang

Capturing the surface-structural dynamics of metal electrocatalysts under certain electrochemical environments is intriguingly desired for understanding the behavior of various metal-based electrocatalysts. However, in situ monitoring of the evolution of a ...

AMER CHEMICAL SOC2022

Temporally-Coherent Surface Reconstruction via Metric-Consistent Atlases

Pascal Fua, Mathieu Salzmann, Shaifali Parashar, Jan Bednarík, Siddhartha Chaudhuri

We propose a method for the unsupervised reconstruction of a temporally-coherent sequence of surfaces from a sequence of time-evolving point clouds, yielding dense, semantically meaningful correspondences between all keyframes. We represent the reconstruct ...

IEEE2021

Copper Nanocrystal Morphology Determines the Viability of Molecular Surface Functionalization in Tuning Electrocatalytic Behavior in CO2 Reduction

Raffaella Buonsanti, James Richard Pankhurst, Valery Okatenko, Pranit Srinivas Iyengar

Molecular surface functionalization of metallic catalysts is emerging as an ever-developing approach to tuning their catalytic performance. Here, we report the synthesis of hybrid catalysts comprising copper nanocrystals (CuNCs) and an imidazolium ligand f ...

2021

Infrared Activities of Adsorbed Species on Metal Surfaces: The Puzzle of Adsorbed Methyl (CH3)

Rainer Beck, Harmina Vejayan

Reflection–absorption infrared spectroscopy (RAIRS) is widely used to identify molecular adsorbates on metals during surface chemical reactions, but the interpretation of RAIRS data can be difficult with experiment alone. Here, we reveal from first-princip ...

2021

Gold Chain Formation via Local Lifting of Surface Reconstruction by Hot Electron Injection on H-2(D-2)/Au(111)

Klaus Kern, Anna Maria Roslawska, Abhishek Grewal

The hexagonal close packed surface of gold shows a 22 x root 3 "herringbone" surface reconstruction which makes it unique among the (111) surfaces of all metals. This long-range energetically favored dislocation pattern appears in response to the strong te ...

AMER CHEMICAL SOC2020

Mapping Electrochemical Heterogeneity at Gold Surfaces: A Second Harmonic Imaging Study

Sylvie Roke, Arianna Marchioro, Igor Nahálka

Designing efficient catalysts requires correlating surface structure and local chemical composition with reactivity on length scales from nanometers to tens of microns. While much work has been done on this structure/function correlation on single crystals ...

2020

The Effect of Surface Reconstruction on the Oxygen Reduction Reaction Properties of LaMnO3

Vasiliki Tileli, Reinis Ignatans

Perovskites have been widely studied for electrocatalysis due to the exceptional activity they exhibit for surface-mediated redox reactions. To date, descriptors based on density functional theory calculations or experimental measurements have assumed a bu ...

AMER CHEMICAL SOC2019

Grand canonical simulations of electrochemical interfaces in implicit solvation models

Nicola Marzari, Oliviero Andreussi, Nicolas Georg Hörmann

We discuss grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments. Water is represented using implicit solvation, here via the self-c ...

AMER INST PHYSICS2019

Exploring the Kondo Effect of an Extended Impurity with Chains of Co Adatoms in a Magnetic Field

Frédéric Mila

Motivated by recent STM experiments, we explore the magnetic field induced Kondo effect that takes place at symmetry protected level crossings in finite Co adatom chains. We argue that the effective two-level system realized at a level crossing acts as an ...

2019

A Single Hydrogen Molecule as an Intensity Chopper in an Electrically Driven Plasmonic Nanocavity

Klaus Kern, Anna Maria Roslawska, Abhishek Grewal, Christoph Grosse

Photon statistics is a powerful tool for characterizing the emission dynamics of nanoscopic systems and their photophysics. Recent advances that combine correlation spectroscopy with scanning tunneling microscopy induced luminescence (STML) have allowed th ...

AMER CHEMICAL SOC2019

Observation of a two-dimensional electron gas at CaTiO3 film surfaces

Jan Hugo Dil, Stefan Peter Muff, Mauro Fanciulli, Andrew Patton Weber, Zoran Ristic, Zheng Wang

The two-dimensional electron gas at the surface of titanates gathered attention due to its potential to replace conventional silicon based semiconductors in the future. In this study, we investigated films of the parent perovskite CaTiO3, grown by pulsed l ...

Elsevier Science Bv2018

Machine learning unifies the modeling of materials and molecules

Michele Ceriotti, Sandip De

Determining the stability ofmolecules and condensed phases is the cornerstone of atomisticmodeling, underpinning our understanding of chemical andmaterials properties and transformations. We show that amachine-learningmodel, based on a local description of ...

Amer Assoc Advancement Science2017

Femtosecond manipulation of spins, charges, and ions in nanostructures, thin films, and surfaces

Fabrizio Carbone

Modern ultrafast techniques provide new insights into the dynamics of ions, charges, and spins in photoexcited nanostructures. In this review, we describe the use of time-resolved electron-based methods to address specific questions such as the ordering pr ...

2017

Reconstruction of 3D scattered data via radial basis functions by efficient and robust techniques

Alberto Crivellaro

We propose new algorithms to overcome two of the most constraining limitations of surface reconstruction methods in use. In particular, we focus on the large amount of data characterizing standard acquisitions by scanner and the noise intrinsically introdu ...

Elsevier Science Bv2017

AlN grown on Si(111) by ammonia-molecular beam epitaxy in the 900-1200 degrees C temperature range

Nicolas Grandjean, Denis Martin, Sebastian Pascal Tamariz Kaufmann

We present a comprehensive study of AlN growth on Si(111) substrate by gas source molecular beam epitaxy with ammonia as nitrogen precursor in the high temperature range. We first demonstrate that the observation of the silicon 7 x 7 surface reconstruction ...

Elsevier2017

Manipulation of the Two-Dimensional States at Titanates Surfaces studied by ARPES

Stefan Peter Muff

The transition metal oxides are known for their versatile physical properties and are therefore an active field of research towards possible new functionalities and applications. This thesis focuses on the subgroup of titanates with perovskite structure th ...

EPFL2017

A Survey of Surface Reconstruction from Point Clouds

Andrea Tagliasacchi

The area of surface reconstruction has seen substantial progress in the past two decades. The traditional problem addressed by surface reconstruction is to recover the digital representation of a physical shape that has been scanned, where the scanned data ...

Wiley2017