Concept

Interface (matter)

Related publications (137)

Hydration mediated interfacial transitions on mixed hydrophobic/hydrophilic nanodroplet interfaces

Sylvie Roke, Nikolay Smolentsev, Halil Ibrahim Okur, Rüdiger Scheu, Filip Kovacik

Interfacial phase transitions are of fundamental importance for climate, industry, and biological processes. In this work, we observe a hydration mediated surface transition in supercooled oil nanodroplets in aqueous solutions using second harmonic and sum ...

AMER INST PHYSICS2018

Adsorption Free Energy of Single Amino Acids at the Rutile (110)/Water Interface Studied by Well-Tempered Metadynamics

Paul Bowen, Ulrich Aschauer

Single amino acids are present in blood plasma and are the building blocks of larger organic residues. Their interaction with surfaces is therefore crucial for biomedical applications in contact with blood. In this work, we use well-tempered metadynamics t ...

2018

Adsorption Free Energy of Single Amino Acids at the Rutile (110)/ Water Interface Studied by Well-Tempered Metadynamics

Paul Bowen, Ulrich Aschauer, Azade Yazdan Yar

2018

Coupled Atomistics and Discrete Dislocations in 3d (CADD-3d)

Guillaume Anciaux

Capturing plasticity at realistic dislocation densities with high configurational complexity requires a continuum-level discrete dislocation dynamics (DDD) description. However, many features controlling dislocation motion are inherently atomistic, such as ...

2018

Redox Electrocatalysis of Floating Nanoparticles: Determining Electrocatalytic Properties without the Influence of Solid Supports

Hubert Girault, Astrid Johana Olaya Avendano, Pekka Eero Peljo, Micheal Diarmaid Scanlon, Evgeny Smirnov, Lucie Josette Renée Rivier

Redox electrocatalysis (catalysis of electron-transfer reactions by floating conductive particles) is discussed from the point-of-view of Fermi level equilibration, and an overall theoretical framework is given. Examples of redox electrocatalysis in soluti ...

Amer Chemical Soc2017

Redox Electrocatalysis of Floating Nanoparticles: Determining Electrocatalytic Properties without the Influence of Solid Supports

Hubert Girault, Astrid Johana Olaya Avendano, Pekka Eero Peljo, Micheal Diarmaid Scanlon, Evgeny Smirnov, Thomas James Stockmann, Lucie Josette Renée Rivier

2017

Quantum State–Resolved Studies of Chemisorption Reactions

Rainer Beck, Helen Jane Chadwick

Chemical reactions at the gas–surface interface are ubiquitous in the chemical industry as well as in nature. Investigating these processes at a microscopic, quantum state–resolved level helps develop a predictive understanding of this important class of r ...

Annual Reviews2017

Molecular-level characterization of curved water interfaces with sum frequency and second harmonic scattering

Nikolay Smolentsev

Aqueous interfaces are omnipresent in nature. Some of them are visible: droplets in clouds, aerosols, and surfaces of oceans, lakes, and rivers. Many more surfaces are hidden: water in contact with cell membranes, proteins, and the surface of droplets in e ...

EPFL2017

Dynamics of falling films on the outside of a vertical rotating cylinder: waves, rivulets and dripping transitions

François Gallaire, Nicolas Igor Jacques Kofman

Falling liquid films on the underside of a plate or on the outside of a rotating cylinder are subject to a destabilizing body force. The evolution of the film topology is determined by interactions between the Kapitza and the Rayleigh-Taylor instability, l ...

Cambridge University Press2017

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello

In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such simulations can ...

American Institute of Physics2017

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