Recherche

Afficher tous les résultats pour

Accueil

Publication

Topography and work function measurements of thin MgO(001) films on Ag(001) by nc-AFM and KPFM

À propos
Confidentialité
Mentions légales

Graph Chatbot

Publications associées (41)

Page 2 sur 3

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Berend Smit, Daniele Ongari, Peter George Boyd, 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

Mobility Gaps of Hydrogenated Amorphous Silicon Related to Hydrogen Concentration and Its Influence on Electrical Performance

Nicolas Würsch, Jonathan Emanuel Thomet, Sylvain Dunand

This paper presents a comprehensive study of hydrogenated amorphous silicon (a-Si)-based detectors, utilizing electrical characterization, Raman spectroscopy, photoemission, and inverse photoemission techniques. The unique properties of a-Si have sparked i ...

2024

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

Michele Ceriotti, Mariana Rossi Carvalho

Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of t ...

2018

The energy landscape of magnetic materials

Nicola Marzari, Louis Maurice Ponet, Enrico Di Lucente

Magnetic materials can display many solutions to the electronic-structure problem, corresponding to different local or global minima of the energy functional. In Hartree-Fock or density-functional theory different single-determinant solutions lead to diffe ...

2024

Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression

Markus Schneider

Metal cations often play an important role in shaping the three-dimensional structure of peptides. As an example, the model system AcPheAla5LysH+ is investigated in order to fully understand the forces that stabilize its helical structure. In particular, t ...

EPFL2018

High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism

Edward Baxter Linscott

DFT+U provides a convenient, cost-effective correction for the self -interaction error (SIE) that arises when describing correlated electronic states using conventional approximate density functional theory (DFT). The success of a DFT+U(+J) calculation hin ...

Amer Physical Soc2024

Excitonic Emission of Monolayer Semiconductors Near-Field Coupled to High-Q Microresonators

Tobias Kippenberg, Clément Christian Javerzac, Ryan Daniel Schilling, Nicolas Piro Mastracchio

We present quantum yield measurements of single layer WSe2 (1L-WSe2) integrated with high-Q (Q > 106) optical microdisk cavities, using an efficient (η > 90%) near-field coupling scheme based on a tapered optical fiber. Coupling of the excitonic emission i ...

American Chemical Society (ACS)2018

3D Reconstruction of Optical Diffraction Tomography Based on a Neural Network Model

Morteza Hasani Shoreh

Optical tomography has been widely investigated for biomedical imaging applications. In recent years, it has been combined with digital holography and has been employed to produce high quality images of phase objects such as cells. In this Thesis, we look ...

EPFL2018

Data-Driven Methods for Controller Design in Atomic Force Microscopy

Navid Asmari Saadabad

Ever since the advent of Atomic Force Microscope (AFM) the community of its users is expanding which led to a broad spectrum of applications. Most of these applications require AFM instruments with fast, accurate, and reliable performance. The sensors and ...

EPFL2024

Implementation of drift velocities and currents in SOLEDGE2D-EIRENE

Davide Galassi

In order to improve cross-field transport description, drifts and currents have been implemented in SOLEDGE2D-EIRENE. The derivation of an equation for the electric potential is recalled. The resolution of current equation is tested in a simple slab case. ...

Elsevier2017

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Nicola Marzari, Oliviero Andreussi

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-tri ...

Amer Inst Physics2016

A new constituent of electrostatic energy in semiconductors

Jean-Michel Sallese

The concept of electric energy is revisited in detail for semiconductors. We come to the conclusion that the main relationship used to calculate the energy related to the penetration of the electric field in semiconductors is missing a fundamental term. Fo ...

EDP Sciences, Springer2016

Oxygen Displacement in Cuprates under Ionic Liquid Field-Effect Gating

Davor Pavuna, Guy Joseph Günter Dubuis

We studied structural changes in a 5 unit cell thick La1.96Sr0.04CuO4 film, epitaxially grown on a LaSrAlO4 substrate with a single unit cell buffer layer, when ultra-high electric fields were induced in the film by applying a gate voltage between the film ...

Nature Research2016

Pressure, relaxation volume, and elastic interactions in charged simulation cells

Céline Varvenne

The ab initio calculation of charged supercells within density-functional theory is a necessary step to access several important properties of matter. The relaxation volume of charged point defects or the partial molar volume of ions in solution are two su ...

Amer Physical Soc2015

Temperature Sensitivity of Nanochannel Electrical Conductance

Philippe Renaud, Arnaud Bertsch, Mojtaba Taghipoor

Electrical measurement is a widely used technique for the characterization of nanofluidic devices. The electrical conductivity of electrolytes is known to be dependent on temperature. However, the similarity of the temperature sensitivity of the electrical ...

Amer Chemical Soc2015

Multiphysics simulation of corona discharge induced ionic wind

Ivica Stevanovic, Nicola Parolini

Ionic wind devices or electrostatic fluid accelerators are becoming of increasing interest as tools for thermal management, in particular for semiconductor devices. In this work, we present a numerical model for predicting the performance of such devices; ...

American Institute of Physics2013

Interfacial Self-Assembly as Catalytic Platform for Multielectron Redox Reactions

Astrid Johana Olaya Avendano

In Nature, many vital biological processes take place across the interface formed between two dielectric media. For instance, photosynthesis and aerobic respiration involve a series of redox reactions occurring across energy-transducing membranes, in charg ...

EPFL2013

Surface screening of written ferroelectric domains in ambient conditions

We have combined Piezoresponse Force Microscopy and Kelvin Probe Force Microscopy (KPFM) to study screening charge dynamics in written domains on PbZr0.2Ti0.8O3 (PZT) thin film surfaces under a controlled environment and at variable temperature. The screen ...

Amer Inst Physics2013

In-situ atomic level observation of the strain response of graphene lattice

Klaus Kern, Jz -Yuan Juo

Strain is inevitable in two-dimensional (2D) materials, regardless of whether the film is suspended or supported. However, the direct measurement of strain response at the atomic scale is challenging due to the difficulties of maintaining both flexibility ...

Nature Portfolio2023

espm: A Python library for the simulation of STEM-EDXS datasets

Adrien Maxime Louis Teurtrie, Cécile Hébert, Duncan Thomas Lindsay Alexander, Nathanaël Perraudin, Hui Chen, Guillaume Romain Obozinski, Hui Chen

We present two open-source Python packages: "electron spectro-microscopy"(espm) and "electron microscopy tables"(emtables). The espm software enables the simulation of scanning transmission electron microscopy energy-dispersive X-ray spectroscopy datacubes ...

ELSEVIER2023