Publications related to Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems

Related publications (42)

Colloidal Atomic Layer Deposition on Nanocrystals Using Ligand-Modified Precursors

Raffaella Buonsanti, Anna Loiudice, Petru Pasquale Albertini, Ona Segura Lecina, Philippe Benjamin Green, Jari Leemans, Mark Adrian Newton, Coline Marie Agathe Boulanger, Krishna Kumar

Atomic layer deposition (ALD) is a method to grow thin metal oxide layers on a variety of materials for applications spanning from electronics to catalysis. Extending ALD to colloidally stable nanocrystals promises to combine the benefits of thin metal oxi ...

Amer Chemical Soc2024

Toward data-driven materials design: From atoms to pilot plants

Kevin Maik Jablonka

Discovering new materials is essential but challenging, time-consuming, and expensive. In many cases, simulations can be useful for estimating material properties. For many of the most interesting properties, however, simulations are infeasible because of ...

EPFL2023

Nematic Ordering of Anisotropic Nanoparticles in Block Copolymers

Ignacio Pagonabarraga Mora

Block copolymer melts have been previously used to control the position and alignment of anisotropic nanoparticles. In this work, 2D and 3D mesoscopic simulations are used to explore the phase behavior of block copolymer/nanoparticle systems. The method co ...

WILEY-V C H VERLAG GMBH2021

Mode-Specific Coupling of Nanoparticle-on-Mirror Cavities with Cylindrical Vector Beams

Christophe Marcel Georges Galland, Sachin Suresh Verlekar, Valeria Vento, Philippe Andreas Rölli

Nanocavities formed by ultrathin metallic gaps permitthe reproducibleengineering and enhancement of light-matter interaction, withmode volumes reaching the smallest values allowed by quantum mechanics.While the enhanced vacuum field in metallic nanogaps ha ...

2023

Mechanical Activation of Chemical Bonds at Polymer Interfaces

Julian Nicolas Bleich

Polymer brushes are a specific class of polymer thin films in which each chain is tethered to the underlying substrate via one chain end. In sufficiently densely grafted assemblies, the individual polymer chains are forced into an extended chain conformati ...

EPFL2021

Ni-Based Nanoparticles Catalyzed Hydrodeoxygenation of Ketones, Ethers, and Phenols to (Cyclo) Aliphatic Compounds

Paul Joseph Dyson, Yelin Hu, Mingyang Liu

Catalytic hydrodeoxygenation is of prime importance in the valorization of biomass-based feedstocks to produce essential chemicals and fuels. To carry out this process in a more cost-effective and sustainable manner, the use of 3D-metal-based nanostructure ...

Amer Chemical Soc2023

Influence of the molecular weight and physical properties of a thermoplastic polymer on its dynamic wetting behavior

Valentin Rougier

The wetting dynamics of molten thermoplastic polymers, which are known to influence the force balance of the triple line, are not understood properly despite their importance in many industrial processes. In particular, the influence of the molecular weigh ...

Elsevier2023

Functional and Responsive Polymers via Controlled Radical Polymerization

Jian Wang

This Thesis is built around 4 topics, which share in common that they all take advantage of the assets of controlled radical polymerization to either (i) prepare well-defined model systems to address fundamental research questions with regard to the sensit ...

EPFL2020

Incorporation of Lignin in Bio-Based Resins for Potential Application in Fiber-Polymer Composites

Mateus De Assunção Hofmann

Bio-based resins, obtained from renewable raw materials, are a more sustainable alternative to oil-based resins for fiber-reinforced polymer (FRP) composites. The incorporation of lignin in those resins has the potential to enhance their performance. This ...

MDPI2023

Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular Dynamics

Philip Robin Loche

Seeded emulsion polymerization is one of the best-known methods for preparing polymer particles with a controlled size, composition, and shape. It first requires the preparation of seed particles, which are then swollen with additional monomer (the same as ...

Amer Chemical Soc2023

Direct, Mediated, and Delayed Intramolecular Singlet Fission Mechanism in Donor-Acceptor Copolymers

Anne-Clémence Corminboeuf, Maria Fumanal Quintana

Donor-acceptor (D-A) extended copolymers have shown great potential to be exploited for intramolecular singlet fission (iSF) because of their modular tunability and intrinsic ability to incorporate low-lying charge-transfer (CT) and a triplet-pair (1TT) st ...

2020

Motility-Induced Microphase and Macrophase Separation in a Two-Dimensional Active Brownian Particle System

Pasquale Digregorio

As a result of nonequilibrium forces, purely repulsive self-propelled particles undergo macrophase separation between a dense and a dilute phase. We present a thorough study of the ordering kinetics of such motility-induced phase separation (MIPS) in activ ...

2020

A versatile platform for graphene nanoribbon synthesis, electronic decoupling, and spin polarized measurements

Donat Fabian Natterer, Johannes Schwenk

The on-surface synthesis of nano-graphenes has led the charge in prototyping structures with perspectives beyond silicon-based technology. Following reports of open-shell systems in graphene-nanoribbons (GNRs), a flurry of research activity was directed at ...

ROYAL SOC CHEMISTRY2023

Increased electromechanical sensitivity of polysiloxane elastomers by chemical modification with thioacetic groups

Yee Song Ko

Chemically cross-linked polydimethylsiloxane (PDMS) elastomers have gained importance as a dielectric in elastic capacitor actuators, which elongate when electrically charged. Common PDMS elastomers have a dielectric permittivity of only about 3 and thus e ...

2020

Soft Printable Electrode Coating for Neural Interfaces

Stéphanie Lacour, Grégoire Courtine, Elvira Pirondini, Florian Dylan Fallegger, Quentin Barraud, Arnaud Bichat, Michael Shur

The mechanical mismatch between implantable interfaces and neural tissues may be reduced by employing soft polymeric materials. Here, we report on a simple strategy to prepare and pattern a soft electrode coating of neural interfacing devices based on a sc ...

2020

Structure-Property Relationships of Microphase-Separated Metallosupramolecular Polymers

Emad Oveisi, Stephen Schrettl

The structural, thermomechanical, and viscoelastic properties of metallosupramolecular polymers (MSPs) can be controlled through the choice of the multiligand monomer and the nature of the metal salt from which these materials are assembled. This versatili ...

American Chemical Society2020

Tuning Interaction Parameters of Thermoplastic Polyurethanes in a Binary Solvent To Achieve Precise Control over Microphase Separation

Oguzhan Oguz

Thermoplastic polyurethanes (TPUs) are designed using a large variety of basic building blocks but are only synthesized in a limited number of solvent systems. Understanding the behavior of the copolymers in a selected solvent system is of particular inter ...

AMER CHEMICAL SOC2019

Polymeric Micelles Loading Proteins through Concurrent Ion Complexation and pH-Cleavable Covalent Bonding for In Vivo Delivery

Francesco Stellacci, Suiyang Liao

Protein drugs have great potential as targeted therapies, yet their application suffers from several drawbacks, such as instability, short half-life, and adverse immune responses. Thus, protein delivery approaches based on stimuli-responsive nanocarriers c ...

WILEY-V C H VERLAG GMBH2019

Synthesis of Loop Poly(Methyl Methacrylate) Brushes via Chain-End Postpolymerization Modification

Harm-Anton Klok, Piotr Mocny

Polymer brushes are typically densely grafted assemblies of polymer chains that are tethered via one end group to a solid substrate. Anchoring linear polymer chains via both end groups to a surface results in loop-type polymer brushes. Although loop polyme ...

American Chemical Society2019

Hard Phase Crystallization Directs the Phase Segregation of Hydrogen-Bonded Supramolecular Polymers

Emad Oveisi

A growing body of work shows that the phase behavior of supramolecular polymers assembled from telechelic building blocks featuring binding motifs at the two termini is quite similar to that of conventional block copolymers. However, it remains unclear how ...

American Chemical Society2019