Concept

Thermodynamic free energy

Publications associées (261)

Though models describing the operating mechanism of organic electrochemical transistors (OECTs) have been developed, these models are unable to accurately reproduce OECT electrical characteristics. Here, the authors report a thermodynamic-based framework t ...

NATURE PORTFOLIO2022

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The growth modulation of metal nanocrystals (NCs) by Ostwald ripening (OR) involves control of the relocation of matter by diffusional mass transfer from the dissolution of small nanocrystals (SNCs) towards large nanocrystals whose surface energy is lower. ...

ELSEVIER2022

Predicting hot-electron free energies from ground-state data

Michele Ceriotti, Federico Grasselli, Chiheb Ben Mahmoud

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally excited electrons, that i ...

AMER PHYSICAL SOC2022

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

EPFL2022

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

Electric metal contacts to monolayer blue phosphorus: electronic and chemical properties

Xiao Zhou, Cheng Chen, Pengfei Ou

The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...

ELSEVIER2022

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Thin beams made of magnetorheological elastomers embedded with hard-magnetic particles (hard-MREs) are capable of large deflections under an applied magnetic field. We propose a comprehensive framework, comprising a beam model and 3D finite element modelin ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Thermal critical points from competing singlet formations in fully frustrated bilayer antiferromagnets

Frédéric Mila, Antoine Yves Dimitri Fache

We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free ...

AMER PHYSICAL SOC2022

Boosting hydrogen production via urea electrolysis on an amorphous nickel phosphide/graphene hybrid structure

Paul Joseph Dyson, Zhaofu Fei, Lu Chen, Yun Tong

Overall urea electrolysis has favorable thermodynamic properties and can complement traditional water splitting by simultaneously purifying urea-rich waste streams. However, the kinetics of the reaction is slow and more efficient catalysts are required. In ...

SPRINGER2021

All-Solid-State Ion-Selective Electrodes: A Tutorial for Correct Practice

Giovanni De Micheli, Sandro Carrara, Mandresy Ivan Ny Hanitra, Irene Taurino, Francesca Criscuolo

The research on ion-measuring devices has seen a rapid expansion in the last years as a consequence of the growing interest in wearable sensors for biofluids analysis and in portable devices for remote or in-line water and food quality monitoring. As a res ...

2021

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