Monomer driven growth of catalytically active AgAu plasmonic nanoalloys

Newmai, M. Boazbou; Verma, Manoj; Dahiya, Annu; Kumar, Pankaj

doi:10.1016/j.jpcs.2021.110371

Cited by 3 publications

(3 citation statements)

References 85 publications

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“…In this case, the coherent scattering lengths for natural abundance Ni and V nuclei are 10.4 and À0.38 fm, respectively (Sears, 1992). More practically, random nano-alloys of Au x Ag 1Àx , largely studied for their catalytic and surface plasmonic states (Newmai et al, 2022;Kozioł et al, 2021;Coviello et al, 2022), can also be studied by similar data analysis protocols, but this analysis is beyond the purpose of this article.…”

Section: Numerical Simulationsmentioning

confidence: 99%

Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness

Ferri,

Bossuto,

Anzini

et al. 2023

Acta Cryst Sect A

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The Debye scattering equation (DSE) [Debye (1915). Ann. Phys. 351, 809–823] is widely used for analyzing total scattering data of nanocrystalline materials in reciprocal space. In its modified form (MDSE) [Cervellino et al. (2010). J. Appl. Cryst. 43, 1543–1547], it includes contributions from uncorrelated thermal agitation terms and, for defective crystalline nanoparticles (NPs), average site-occupancy factors (s.o.f.'s). The s.o.f.'s were introduced heuristically and no theoretical demonstration was provided. This paper presents in detail such a demonstration, corrects a glitch present in the original MDSE, and discusses the s.o.f.'s physical significance. Three new MDSE expressions are given that refer to distinct defective NP ensembles characterized by: (i) vacant sites with uncorrelated constant site-occupancy probability; (ii) vacant sites with a fixed number of randomly distributed atoms; (iii) self-excluding (disordered) positional sites. For all these cases, beneficial aspects and shortcomings of introducing s.o.f.'s as free refinable parameters are demonstrated. The theoretical analysis is supported by numerical simulations performed by comparing the corrected MDSE profiles and the ones based on atomistic modeling of a large number of NPs, satisfying the structural conditions described in (i)–(iii).

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Section: Numerical Simulationsmentioning

confidence: 99%

Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness

Ferri,

Bossuto,

Anzini

et al. 2023

Acta Cryst Sect A

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“…Herein we studied the formation of AuAg nanoalloys that have been considered in many applications owing to, in particular, their plasmonic, [45][46][47] catalytic 45,[47][48][49] and antibacterial [50][51][52][53] properties. In this context, targeted technological applications require the control over two principal structural parameters.…”

Section: Introductionmentioning

confidence: 99%

Exploring the formation of gold/silver nanoalloys with gas-phase synthesis and machine-learning assisted simulations

Gromoff,

Benzo,

Saidi

et al. 2024

Nanoscale

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“…All the classical approaches mentioned above rely on defining a suitable permittivity function ε. Clearly, in the case of bimetallic systems, ε-dependent methods are not flexible enough to treat a priori any chemical composition and need to resort to experimentally measured ε values for specific alloy concentrations or to approximations, which may not be physically justified (such as a linear combination of the ε values of the two metals) (Peña-Rodríguez and Pal, 2011a;Verbruggen et al, 2013;Ma et al, 2015;Putra et al, 2017;Kuddah et al, 2020;Newmai et al, 2022).…”

Section: Introductionmentioning

confidence: 99%

Fully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems

et al. 2023

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The recently developed ωFQFμ model (ACS Photonics, 9, 3,025–3,034) is extended to bimetallic nanoparticles, such as nanoalloys and core-shell systems. The method finds its grounds in basic physical concepts, such as Drude conduction theory, electrostatics, interband transitions, and quantum tunneling. The approach, which is parametrized on ab initio simulations of Ag-Au nanoalloys, is challenged against complex Ag-Au nanostructures (spheres, nanorods, and core-shell nanoparticles). Remarkable agreement with available experimental data is found, thus demonstrating the reliability of the newly developed approach.

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Monomer driven growth of catalytically active AgAu plasmonic nanoalloys

Cited by 3 publications

References 85 publications

Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness

Site-occupancy factors in the Debye scattering equation. A theoretical discussion on significance and correctness

Exploring the formation of gold/silver nanoalloys with gas-phase synthesis and machine-learning assisted simulations

Fully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems

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