Reversible assembly of nanoparticles: theory, strategies and computational simulations

Abstract

The significant advances in synthesis and functionalization have enabled the preparation of high- quality nanoparticles that have found a plethora of successful applications. The unique physicochemical properties of nanoparticles can...

Development of Novel Peptide-Modified Silver Nanoparticle-Based Rapid Biosensors for Detecting Aminoglycoside Antibiotics

“…Consequently, the CHPs act as robust capping agents, preventing the aggregation of AgNPs by facilitating stronger electrostatic and steric interactions. These interactions create a repulsive force among NPs, ultimately increasing the colloidal stability of AgNPs . Enhanced stability is crucial for long-term storage, and the development of the colorimetric analytical platform ensures the accuracy and reliability of target analyte detection.…”

“…These interactions create a repulsive force among NPs, ultimately increasing the colloidal stability of AgNPs. 68 Enhanced stability is crucial for long-term storage, and the development of the colorimetric analytical platform ensures the accuracy and reliability of target analyte detection.…”

Unveiling the structure and ion dynamics of amorphous Na3−xOHxCl antiperovskite electrolytes by first-principles molecular dynamics

“…Our FPMD approach 34,42 has been extensively used and benchmarked in the last few decades and contributed to the improvement of our understanding of both the physical and chemical properties of chalcogenide and chalcohalide glasses, [43][44][45] hybrid 46,47 and porous 48 systems, and nanomaterials. [49][50][51][52] The Na 3 OCl glass model was generated by quenching from the melt. The initial conguration consisted of a Na 3 OCl crystal cubic unit cell replicated 3 × 3 × 3 times to obtain a 135 atom model (81 Na, 27 O, and 27 Cl) in a cubic simulation cell of side length 13.6148 Å.…”

“…Our FPMD approach 34,42 has been extensively used and benchmarked in the last few decades and contributed to the improvement of our understanding of both the physical and chemical properties of chalcogenide and chalcohalide glasses, 43–45 hybrid 46,47 and porous 48 systems, and nanomaterials. 49–52…”

Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters

“…It is also not surprising that the dimerization-free energy barrier is quite high due to strong electrostatic interactions between the oppositely charged ligands of the MPCs at the dimer interface (Figure c). The high free energy barrier for the detachment of the dimer to form monomers indicates that the dimerization process is irreversible . Interestingly, the strong electrostatic interactions between the monomers result in the formation of directional self-assembled structures, which we discuss in a subsequent section.…”