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Gold nanoparticles are unique electrocatalysts for oxygen reduction, carbon dioxide reduction, and alcohol oxidation. Electrocatalytic processes are influenced by the interaction with the solvent, yet the direct investigation of the…

The performance of gold nanoparticles (NPs) in applications depends critically on the structure of the NP-solvent interface, at which the electrostatic surface polarization is one of the key characteristics that affects hydration, ionic…

Chemical Physics · Physics 2021-09-20 Zhujie Li , Victor G. Ruiz , Matej Kanduč , Joachim Dzubiella

Hypothesis: Introducing charged terminal groups to polymers that graft nanoparticles enables Coulombic control over their assembly by tuning the pH and salinity of aqueous suspensions. Experiments: Gold nanoparticles (AuNPs) are grafted…

Mesoscale and Nanoscale Physics · Physics 2023-12-08 Hyeong Jin Kim , Binay P. Nayak , Honghu Zhang , Benjamin M. Ocko , Alex Travesset , David Vaknin , Surya K. Mallapragada , Wenjie Wang

It is well-known that the interaction between passivated nanoparticles can be tuned by their complete immersion in a chosen solvent, such as water. What remains unclear on a molecular level is how nanoparticle interactions may be altered in…

We report the results of molecular dynamics simulations of the properties of a pseudo-atom model of dodecane thiol ligated 5-nm diameter gold nanoparticles (AuNP) in vacuum as a function of ligand coverage and particle separation in three…

Chemical Physics · Physics 2019-02-20 Christopher Liepold , Alex Smith , Binhua Lin , Juan de Pablo , Stuart A. Rice

The controlled self-assembly of thiol stabilized gold nanocrystals in a mediating solvent and confined within mesoporous alumina was probed in situ with small angle x-ray scattering. The evolution of the self-assembly process was controlled…

Inorganic nanoparticle cores are often coated with organic ligands to render them dispersible in apolar solvents. However, the effect of the ligand shell on the colloidal stability of the overall hybrid particle is not fully understood. In…

Soft Condensed Matter · Physics 2019-02-21 Debora Monego , Thomas Kister , Nicholas Kirkwood , Paul Mulvaney , Asaph Widmer-Cooper , Tobias Kraus

Being able to predict and tune the colloidal stability of nanoparticles is essential for a wide range of applications, yet our ability to do so is currently poor due to a lack of understanding of how they interact with one another. Here, we…

Soft Condensed Matter · Physics 2018-08-30 Thomas Kister , Debora Monego , Paul Mulvaney , Asaph Widmer-Cooper , Tobias Kraus

Functionalized metal nanoparticles (NPs) have been proposed as promising radiosensitizing agents for more efficient radiotherapy treatment using photons and ion beams. Radiosensitizing properties of NPs may depend on many different…

Atomic and Molecular Clusters · Physics 2023-09-06 Alexey V. Verkhovtsev , Adam Nichols , Nigel J. Mason , Andrey V. Solov'yov

We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a tool for understanding and improving wet-chemical synthesis…

Materials Science · Physics 2021-08-17 Joakim Löfgren , J. Magnus Rahm , Joakim Brorsson , Paul Erhart

In this work we present the magnetic properties of gold coated FePt nanoparticles and the study of stable aqueous dispersions of FePt@Au and FePt synthesized after ligand exchange with mercaptoundecanoic acid. The particle size determined…

Chemical Physics · Physics 2009-11-24 P. de la Presa , T. Rueda , M. P. Morales , A. Hernando

Bio-conjugated nanomaterials play a promising role in the development of novel supramolecular structures, molecular machines, and biosensing devices. In this study, lipid-conjugated gold nanoparticles were synthesized and allowed to form a…

Materials Science · Physics 2012-07-24 Subhasish Chatterjee , Markrete Krikorian , Harry D. Gafney , Bonnie Gersten

Chemically-reduced graphene-oxide-supported gold nanoparticles are considered here as catalytic materials for the reduction of oxygen in alkaline medium. Gold nanoparticles are prepared by the chemical reduction method, in which the…

Functionalization of photocatalytic metal oxide nanoparticles of TiO2, ZnO, WO3 and CuO with amine-terminated (oleylamine) and thiol-terminated (1-dodecanethiol) alkyl chained ligands was studied under ambient conditions. A high selectivity…

While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and…

In this work, we combine electron microscopy measurements of the surface compositions in Cu-Au nanoparticles and atomistic simulations to investigate the effect of gold segregation. While this mechanism has been extensively investigated…

Amphiphilic phospholipids and nanoparticles functionalized with hydrophobic capping ligands have previously been extensively investigated for their capacity to self-assemble into Langmuir monolayers at the air/water interface. However,…

Gold nanoparticles (AuNPs) play an important role in fundamental research and development due to their versatile applications and biocompatibility. This study addresses the aging of three AuNP suspensions after the addition of various…

Soft Condensed Matter · Physics 2025-02-04 Philipp Ritzert , Alexandra Striegel , Regine von Klitzing

Density functional theory within the generalized-gradient approximation is used to study the adsorption of the isocyanides CNH and CNCH3 on the gold (111) surface at several coverages. It is found that these molecules are highly selective…

Other Condensed Matter · Physics 2007-05-23 Yulia Gilman , Philip B. Allen , Mark S. Hybertsen

A thermodynamic model for a mixture of alkanethiol-coated nanoparticles (NPs) and low molecular weight (non-polymeric) solvent is developed, and calculations of liquid-liquid phase equilibrium for different values of NP core radius,…

Materials Science · Physics 2013-11-22 Ezequiel R. Soule , Cristina E. Hoppe , Julio Borrajo , Roberto J. J. Williams
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