Publications associées à Improved Directional Derivatives for Modifier-Adaptation Schemes

Stress induced delamination of suspended MoS2 in aqueous environments

Aleksandra Radenovic, Michal Daniel Macha, Sanjin Marion, Mukeshchand Thakur

Applying hydrostatic pressure with suspended 2D material thin membranes allows probing the effects of lateral strain on the ion and fluid transport through nanopores. We demonstrate how both permanent and temporary delamination of 2D materials can be induc ...

ROYAL SOC CHEMISTRY2022

Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface

Philip Robin Loche

Although conceptually simple, the air-water interface displays rich behavior and is subject to intense experimental and theoretical investigations. Different definitions of the electrostatic surface potential as well as different calculation methods, each ...

AIP Publishing2022

Adsorption Behavior of the Coenzyme NADH at the Carbon/ Electrolyte Interface Determined by Neutron Reflectometry

The adsorption behavior of beta-nicotinamide adenine dinucleotide (NADH) at the carbon/electrolyte interface has been studied using a combination of neutron reflectometry (NR) and solution depletion isotherms. Coupling the NR technique with an electrochemi ...

2022

Grassmannian diffusion maps based surrogate modeling via geometric harmonics

Ketson Roberto Maximiano Dos Santos

A novel surrogate model based on the Grassmannian diffusion maps (GDMaps) and utilizing geometric harmonics (GH) is developed for predicting the response of complex physical phenomena. The method utilizes GDMaps to obtain a low-dimensional representation o ...

Wiley2022

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

Transferable machine-learning models of complex materials: the case of GaAs

Giulio Imbalzano

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

EPFL2021

Transport signatures of temperature-induced chemical potential shift and Lifshitz transition in layered type-II Weyl semimetal TaIrTe4

Oleg Yazyev, Quansheng Wu, Meng Yang

Temperature-induced Lifshitz transitions have been identified in several materials. Their chemical potential shows a substantial shift with changing temperature. The common feature of these materials is the coexistence of electron and hole pockets in the v ...

IOP PUBLISHING LTD2021

Switchable wetting of oxygen-evolving oxide catalysts

Vasiliki Tileli, Tzu-Hsien Shen

The surface wettability of catalysts is typically controlled via surface treatments that promote catalytic performance. Here we report on potential-regulated hydrophobicity/hydrophilicity at cobalt-based oxide interfaces with an alkaline solution. The swit ...

NATURE PORTFOLIO2022

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 ...

2020

Lithium-Gold Reference Electrode for Potential Stability DuringIn SituElectron Microscopy Studies of Lithium-Ion Batteries

Nikolaos Nianias, Jing Hou, Vasiliki Tileli, Jialiang Fan, Tzu-Hsien Shen, Robin Pierre Alain Girod

Electrochemical liquid-phase transmission electron microscopy (TEM) is showing excellent promise in fundamental studies of energy-related processes including lithium-ion battery (LIB) cycling. A key requirement to accurately interpret the measurements and ...

2020

Highly spatially resolved mapping of the piezoelectric potentials in InGaN quantum well structures by off-axis electron holography

Victor Carle Adrien Boureau

The internal fields in 2.2nm thick InGaN quantum wells in a GaN LED structure have been investigated by using aberration-corrected off-axis electron holography with a spatial resolution of better than 1nm. To improve the spatial resolution, different types ...

2020

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface

Klaus Kern

Establishing the atomic-scale structure of metal-oxide surfaces during electrochemical reactions is a key step to modeling this important class of electrocatalysts. Here, we demonstrate that the characteristic (root 2x root 2)R45 degrees surface reconstruc ...

Wiley-VCH Verlag GmbH2020

Negative capacitance semiconductor sensor

Mihai Adrian Ionescu, Ali Saeidi, Francesco Bellando

The present invention relates to a semiconductor sensor (1) comprising: a source element (17, 19); a drain element (21, 23); a semiconductor channel element (25) between the source element (17, 19) and the drain element (21, 23) for forming an electrically ...

2020

Discrete Helmholtz charge distribution at liquid-liquid interfaces: Electrocapillarity, capacitance and non-linear spectroscopy studies

Hubert Girault, Grégoire Clément Gschwend

The structure of the polarised interface between two immiscible electrolyte solutions (ITIES) has usually been deduced from electrocapillarity and capacitance measurements. However, these two methods only offer an indirect access to the surface change dens ...

ELSEVIER SCIENCE SA2020

Detection of voltage pulse width effect on charge accumulation in PSCs EFISHG measurement

Mohammad Khaja Nazeeruddin, Sanghyun Paek, Zubair Ahmad

We report the effect of applied pulse width on charge accumulation in triple cation perovskite solar cells (PSCs) during the Electric Field Induced Second Harmonic Generation (EFISHG) measurements. The PSCs were prepared in the n-i-p structure using the la ...

ELSEVIER2020

Experimental verification of X-point potential well formation in unfavorable magnetic field direction

Basil Duval, Holger Reimerdes, Marco Wischmeier, Joaquim Loizu Cisquella, Christian Gabriel Theiler, Hugo De Oliveira, Cedric Kar-Wai Tsui, Mirko Wensing, Sophie Danielle Angelica Gorno, Claudia Colandrea

Recent TCV experiments confirm the predicted formation of an electric potential well, below the magnetic X-point, in configurations with unfavorable

B_t

field direction (ion

\nabla B

drift away from the divertor), that substantially reshapes the typica ...

Elsevier2020

Electrosorption at metal surfaces from first principles

Nicola Marzari

Electrosorption of solvated species at metal electrodes is a most fundamental class of processes in interfacial electrochemistry. Here, we use its sensitive dependence on the electric double layer to assess the performance of ab initio thermodynamics appro ...

NATURE PUBLISHING GROUP2020

Mapping of Chemical Heterogeneity at Surfaces with High-Throughput Wide-Field Second Harmonic Microscopy

Igor Nahálka

Many industrial processes are based on electrochemical reactions using engineered electrocatalysts. However, the current lack of theoretical knowledge obscures efforts to maximize catalysts' efficiency, and the optimization process is mostly empirical. To ...

EPFL2020

X-point potential well formation in diverted tokamaks with unfavorable magnetic field direction

Basil Duval, Holger Reimerdes, Marco Wischmeier, Joaquim Loizu Cisquella, Mirko Wensing

Fluid simulations of the boundary of fusion plasmas predict the formation of an electric potential well in the vicinity of the X-point in detached divertor conditions with Bt in the unfavorable direction for H-mode access. This potential well arises when t ...

IOP Publishing Ltd2020

Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials

Matthieu Gilles Mottet, Aris Marcolongo

Superior stability and safety are key promises attributed to all-solid-state batteries (ASSBs) containing solid-state electrolyte (SSE) compared to their conventional counterparts utilizing liquid electrolyte. To unleash the full potential of ASSBs, SSE ma ...

Royal Society of Chemistry2020