Nanoscale size effects in α-FAPbI3 evinced by large-scale ab initio simulations

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Second Harmonic Scattering Reveals Ion-Specific Effects at the SiO2 and TiO2 Nanoparticle/Aqueous Interface

Arianna Marchioro, Marie Bischoff

Ion-specific effects play a crucial role in controlling the stability of colloidal systems and regulating interfacial processes. Although mechanistic pictures have been developed to explain the electrostatic structure of solid/water colloidal interfaces, i ...

AMER CHEMICAL SOC2021

MiMiC: Multiscale Modeling in Computational Chemistry

Ursula Röthlisberger, Simone Meloni, Martin Peter Bircher, Viacheslav Bolnykh

FRONTIERS MEDIA SA2020

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

Ursula Röthlisberger, Ivano Tavernelli, Pablo Campomanes Ramos

Bovine rhodopsin is the most extensively studied retinal protein and is considered the prototype of this important class of photosensitive biosystems involved in the process of vision. Many theoretical investigations have attempted to elucidate the role of ...

Amer Chemical Soc2013

Self-assembly of tunable, responsive polymer nanostructures : tools for nanofabrication of functional interfaces

Sivashankar Krishnamoorthy

The thesis presents a tool-box based on two dimensional self-assembly of diblock copolymer micelles to achieve nanostructures on surface with control over dimensions, spacing, surface-coverage and surface placement. Polystyrene-block-poly(2-vinyl pyridine) ...

EPFL2006