Concept

Molecular engineering

Publications associées (48)

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Photogeneration of Hydrogen: Insights from a Pt(II)-Complex Incorporated into a Covalent Organic Framework

Federico De Biasi, Paolo Costa

Pt(II)-based molecular catalysts stand as a prototypical system in hydrogen evolution reactions (HER) owing to their consistently elevated activity levels. Their integration into heterogeneous systems thus provides an ideal platform to develop catalytic ma ...

Wiley-V C H Verlag Gmbh2024

Influence of the hydrophile-lipophile balance of perfluorinated surfactants on the emulsion stability

Esther Amstad, Gaia De Angelis

Emulsions are omnipresent in our everyday life; for example, in food, certain drug and cosmetic formulations, agriculture, and as paints. Moreover, they are frequently used to perform high-throughput screening assays with minimum sample volumes. Key to the ...

Springer Heidelberg2024

Balancing the Nanoscale Organization in Multivalent Materials for Functional Inhibition of the Programmed Death-1 Immune Checkpoint

Maartje Martina Cornelia Bastings, Kaltrina Paloja, Jorieke Weiden

Dendritic cells (DCs) regulate immune priming by expressing programmed death ligand 1 (PD-L1) and PD-L2, which interact with the inhibitory receptor PD-1 on activated T cells. PD-1 signaling regulates T cell effector functions and limits autoimmunity. Tumo ...

Washington2023

Construction of Fe3O4 bridged Pt/g-C3N4 heterostructure with enhanced solar to fuel conversion

Michael Graetzel, Shaik Mohammed Zakeeruddin

In this study, we report the effects of co-catalysts of Pt nanoparticles and Fe3O4 clusters on photocatalytic behaviors of g-C3N4 (CN) and the use of the resulting photocatalyst for CO2 photoreduction to solar fuels in a flow reactor operated at room-tempe ...

ELSEVIER2022

Molecular insights into the electrical double layer of colloidal oxide particles obtained through second harmonic scattering

Marie Bischoff

Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...

EPFL2022

Multivalent Pattern Recognition Through Engineering of Spatial Tolerance in DNA-Based Nanomaterials

Hale Bila

Strength in numbers, combining many weak interactions into an overall strong connection, is the fundamental principle of multivaleny. This concept has been exploiting for the engineering of super-selective cell-targeting materials, which generally display ...

EPFL2022

Atomistic Simulation of Cementitious Systems: An Insight Into Adsorption of Ions and Small Molecules Onto Portlandite and C-S-H Surfaces

Masood Valavi

AbstractCalcium-Silicate-Hydrate (C-S-H) has been studied extensively over the last few decades to gain understanding toward the underlying mechanism of different stages during cement hydration. The variable stoichiometry and nanocrystallinity of C-S-H mak ...

EPFL2022

Copper Nanocrystal Morphology Determines the Viability of Molecular Surface Functionalization in Tuning Electrocatalytic Behavior in CO2 Reduction

Raffaella Buonsanti, James Richard Pankhurst, Valery Okatenko, Pranit Srinivas Iyengar

Molecular surface functionalization of metallic catalysts is emerging as an ever-developing approach to tuning their catalytic performance. Here, we report the synthesis of hybrid catalysts comprising copper nanocrystals (CuNCs) and an imidazolium ligand f ...

AMER CHEMICAL SOC2021

Capillary assisted particle assembly for high aspect ratio nanorods

New developments in nanoparticle synthesis is opening new opportunities in bottom-up assembly. Indeed, monocrystalline and functionalized nanoparticles allow fabrication of metamaterials such as plasmonics and nanogap electrodes. Among the bottom up assemb ...

2021

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