Concept

Force de van der Waals

Publications associées (274)

Photoinduced Charge Transfer Dynamics in Blue-Coloured Diketopyrrolopyrrole (DPP) Dye-Sensitized Solar Cells

The inception of push-pull organic dyes utilizing the donor-pi conjugated bridge-acceptor (D-pi-A) motif has created a paradigm shift in the design of efficient nanocrystalline dye-sensitized solar cells (DSSCs), offering control over aesthetic and perform ...

EPFL2019

Supercritical water anomalies in the vicinity of the Widom line

Christian Ludwig

Supercritical water is used in a variety of chemical and industrial applications. As a consequence, a detailed knowledge of the structure-properties correlations is of uttermost importance. Although supercritical water was considered as a homogeneous fluid ...

2019

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure

Berend Smit, Benjamin André René Meyer, Senja Dominique Barthel, Laurent Alexis Clément Vannay, Amber Kashan Mace

The study of organic molecular crystals under high pressure provides fundamental insight into crystal packing distortions and reveals mechanisms of phase transitions and the crystallization of polymorphs. These solid-state transformations can be monitored ...

AMER CHEMICAL SOC2019

Equation of State of Fluid Methane from First Principles with Machine Learning Potentials

Max David Veit

The predictive simulation of molecular liquids requires potential energy surface (PES) models that are not only accurate but also computationally efficient enough to handle the large systems and long time scales required for reliable prediction of macrosco ...

AMER CHEMICAL SOC2019

Dibenzoquinquethiophene- and Dibenzosexithiophene-Based Hole-Transporting Materials for Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Javier Urieta Mora

Fused oligothiophene-based pi-conjugated organic derivatives have been widely used in electronic devices. In particular, two-dimensional (2D) heteroarenes offer the possibility of broadening the scope by extending the pi-conjugated framework, which endows ...

2019

Molecular Level Interfacial Studies of Nanoemulsions: Surface Structure, Specific Ion Effects and Stability

Evangelia Zdrali

This thesis is a study on the molecular structure of the interface of nanometer-sized oil droplets dispersed in water, a system known as oil-in-water nanoemulsion. The motivation for this research is the large significance of the interfacial nanostructures ...

EPFL2019

Polymorphism in carbohydrate self-assembly at surfaces: STM imaging and theoretical modelling of trehalose on Cu(100)

Klaus Kern, Stephan Rauschenbach, Sabine Abb

Saccharides, also commonly known as carbohydrates, are ubiquitous biomolecules, but little is known about their interaction with surfaces. Soft-landing electrospray ion beam deposition in conjunction with high-resolution imaging by scanning tunneling micro ...

2019

Orientation-Controlled Nonradiative Energy Transfer to Colloidal Nanoplatelets: Engineering Dipole Orientation Factor

Didem Dede, Ibrahim Tanriöver

We proposed and showed strongly orientation-controlled Forster resonance energy transfer (FRET) to highly anisotropic CdSe nanoplatelets (NPLs). For this purpose, we developed a liquidair interface self-assembly technique specific to depositing a complete ...

2019

How Do London Dispersion Interactions Impact the Photochemical Processes of Molecular Switches?

Alberto Fabrizio

In the last two decades, linear-response time-dependent density functional theory (LR-TDDFT) has become one of the most widely used approaches for the computation of the excited-state properties of atoms and molecules. Despite its success in describing the ...

2018

The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4

Assil Bouzid, Carlo Massobrio

Recent first-principles molecular dynamics simulations (FPMD) results on two chalcogenide glasses (glassy GeS4 and GeSe4) are revisited by accounting explicitly for van der Waals (vdW) dispersion forces. This effort is motivated by the observation that suc ...

ELSEVIER SCIENCE BV2018

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search