Publication

Improved Directional Derivatives for Modifier-Adaptation Schemes

Publications associées (28)

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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

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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

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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 ...

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

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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

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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 ...

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

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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

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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

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

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