Advances in thermodynamic modelling of nanoparticles

Guisbiers, Grégory

doi:10.1080/23746149.2019.1668299

Cited by 43 publications

(55 citation statements)

References 107 publications

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“…The results are summarised in Figure 5 for all three nanoparticle geometries considered in the present work. In all cases, the surface energy decreases with increasing values of ∆, which is a simple consequence of the surface energy definition in Equation (2). It is, however, remarkable to notice that even for the largest nanoparticle sizes the surface energy reduction is still larger than 1% for the…”

Section: Correction Of the Surface Area For Electronic Cloudmentioning

confidence: 75%

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Surface Energy of Au Nanoparticles Depending on Their Size and Shape

et al. 2020

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Motivated by often contradictory literature reports on the dependence of the surface energy of gold nanoparticles on the variety of its size and shape, we performed an atomistic study combining molecular mechanics and ab initio calculations. We show that, in the case of Au nanocubes, their surface energy converges to the value for ( 0 0 1 ) facets of bulk crystals. A fast convergence to a single valued surface energy is predicted also for nanospheres. However, the value of the surface energy is larger in this case than that of any low-index surface facet of bulk Au crystal. This fact can be explained by the complex structure of the surface with an extensive number of broken bonds due to edge and corner atoms. A similar trend was obtained also for the case of cuboctahedrons. Since the exact surface area of the nanoparticles is an ill-defined quantity, we have introduced the surface-induced excess energy and discuss this quantity as a function of (i) number of atoms forming the nano-object or (ii) characteristic size of the nano-object. In case (i), a universal power-law behaviour was obtained independent of the nanoparticle shape. Importantly, we show that the size-dependence of the surface energy is hugely reduced, if the surface area correction is considered due to its expansion by the electronic cloud, a phenomenon specifically important for small nanoparticles.

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Section: Correction Of the Surface Area For Electronic Cloudmentioning

confidence: 75%

“…Surface energy is an important thermodynamic quantity. Particularly in cases where the volume-to-surface ratio becomes small, as is the case of nanoparticles, its relevance must not be underestimated [1,2].…”

Section: Introductionmentioning

confidence: 99%

Surface Energy of Au Nanoparticles Depending on Their Size and Shape

et al. 2020

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“…At first thought, there is an expectation that the NP physical properties will show a smooth dependence with the size and shape of the NP itself. 1 During the last century, Pavlov's suggestion 2 of a linear depression of the melting point with the inverse of the NP diameter has been confirmed in several experiments. 3 However, deviations from this general trend occur, especially in NP of small sizes.…”

Section: Introductionmentioning

confidence: 91%

A universal signature in the melting of metallic nanoparticles

et al. 2021

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“…Conventional thermodynamics laws applied for bulk materials no longer suits nanometre-scale materials. For instance, properties like entropy, enthalpy, free energy, melting temperature, ordering temperature, Debye temperature, and specific heat, no longer remain constant but vary according to solid crystal dimension size, and morphology [ 80 ].…”

Section: Overview Of Nanoparticle As Electrocatalystsmentioning

confidence: 99%

Biomolecules and Electrochemical Tools in Chronic Non-Communicable Disease Surveillance: A Systematic Review

et al. 2020

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Over recent three decades, the electrochemical techniques have become widely used in biological identification and detection, because it presents optimum features for efficient and sensitive molecular detection of organic compounds, being able to trace quantities with a minimum of reagents and sample manipulation. Given these special features, electrochemical techniques are regularly exploited in disease diagnosis and monitoring. Specifically, amperometric electrochemical analysis has proven to be quite suitable for the detection of physiological biomarkers in monitoring health conditions, as well as toward the control of reactive oxygen species released in the course of oxidative burst during inflammatory events. Besides, electrochemical detection techniques involve a simple and swift assessment that provides a low detection-limit for most of the molecules enclosed biological fluids and related to non-transmittable morbidities.

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Advances in thermodynamic modelling of nanoparticles

Cited by 43 publications

References 107 publications

Surface Energy of Au Nanoparticles Depending on Their Size and Shape

Surface Energy of Au Nanoparticles Depending on Their Size and Shape

A universal signature in the melting of metallic nanoparticles

Biomolecules and Electrochemical Tools in Chronic Non-Communicable Disease Surveillance: A Systematic Review

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