Temperature effects on nanostructure and mechanical properties of single-nanoparticle thick membranes

Salerno, K. Michael; Grest, Gary S.

doi:10.1039/c4fd00249k

Cited by 12 publications

(26 citation statements)

References 46 publications

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“…MD simulation of two-dimensional non-cross-linked GNP thin film have been carried out by Grest et al [25][26][27]. The single-NP-thick film with alkanethiol-coated GNP has been studied with mechanical test to reveal the mechanical properties, ligand structure, and end group interactions of the NP thin film.…”

Section: Introductionmentioning

confidence: 99%

Full Atomistic Simulation of Cross-Linked Gold Nanoparticle Assemblies

Yeh

Chiang

Chang

2020

Multiscale Sci. Eng.

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Nanoparticles (NPs) comprised of noble metal cores and organic ligands have been widely used in many engineering applications in the recent years due to their exceptional material properties. Numerous studies have explored the tunability of the elastic and electronic transport properties of nano-scale thin films made of gold nanoparticles. However, the nanoscale mechanisms, such as the conformation of ligands, cross-linking behavior, are still not well understood. In this study, we developed a full atomistic modeling approach to construct full atomistic cross-linked gold nanoparticle thin films to explore the nanoscale features and molecular configurations of cross-linked gold nanoparticle assemblies at the nano-scale.

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Section: Introductionmentioning

confidence: 99%

Full Atomistic Simulation of Cross-Linked Gold Nanoparticle Assemblies

Yeh

Chiang

Chang

2020

Multiscale Sci. Eng.

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“…These dry temperatureannealed samples were then equilibrated for more than 10 ns for comparison with dry samples that were not annealed. We characterize the properties of dry membranes at elevated temperatures elsewhere [49].…”

Section: Methodsmentioning

confidence: 99%

“…Also of interest is the effect of thermal annealing on q ij . We detail elsewhere the weakening of ligand end group and ligand backbone structure with increased temperature [49]. Here we compare ligand end-group and backbone structure before and after thermal annealing.…”

Section: F Ligand Structure Equilibration and Stabilitymentioning

confidence: 99%

Ligand structure and mechanical properties of single-nanoparticle-thick membranes

et al. 2015

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The high mechanical stiffness of single-nanoparticle-thick membranes is believed to result from the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with a nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH(3)) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Moreover, the particular end group (COOH or CH(3)) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.

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“…Molecular dynamics simulation indicated that the single particle thick membrane expanded and ligands unbundled from each other when temperature rised. [122] Experimental results also suggested that the temperature at which the assembly was fabricated could impact on both the film morphology and the temperature-elastic modulus. [125] Membranes that were fabricated at a temperature higher than the phase transition temperature showed a higher degree of interdigitation but were also accompanied with more defects.…”

Section: The Effect Of Temperaturementioning

confidence: 99%

“…In another dynamic simulation, the terminal group of the ligand was found to have a great impact on the mechanical properties of a single-nanoparticle-thick membrane. [121][122] For an assembly with methyl (-CH 3 ) terminated ligands, the interaction among carbon chains and partial interpenetration among ligands were prevailing. However, for a carboxyl (-COOH) terminated ligands system, end-to-end orientations and electrostatic interactions between charges in the COOH groups were the dominant interactions.…”

Section: Short Molecular Ligand Interdigitationmentioning

confidence: 99%

Free‐Standing 2D Nanoassemblies

Shi

Cheng

2019

Adv Funct Materials

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Free-standing 2D nanoassemblies are ultrathin nanomembranes or nanosheets constructed from constituent nanoscale building blocks including metal nanoparticles, quantum dots, magnetic nanoparticles, typically by a bottom-up self-assembly approach. Such free-standing nanoassemblies are a new class of advanced functional materials that can integrate unique optoelectronic properties of nanomaterials with thin film mechanics into confined 2D space. This offers attributes such as minimizing substrate effects, facile transfer and soft devices in This article is protected by copyright. All rights reserved. 2 comparison to the corresponding substrate-supported system. This Review covers the recent progress in fabrication, characterization and application of the free-standing 2D nanoassemblies. To begin, the attributes of free-standing 2D nanoassemblies are discussed, followed by the description of fabrication methodologies. Then their novel optical, electronic, mechanical, magnetic, and stimuli responsible properties are covered, and their potential applications in filtration membrane, nanomechanical devices, and chemical sensing are further discussed. Finally, perspectives on the challenges and future opportunities of the freestanding 2D nanoassemblies are shared.

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Temperature effects on nanostructure and mechanical properties of single-nanoparticle thick membranes

Cited by 12 publications

References 46 publications

Full Atomistic Simulation of Cross-Linked Gold Nanoparticle Assemblies

Full Atomistic Simulation of Cross-Linked Gold Nanoparticle Assemblies

Ligand structure and mechanical properties of single-nanoparticle-thick membranes

Free‐Standing 2D Nanoassemblies

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