Size-Dependent Electrochemical Properties of Pure Metallic Nanoparticles,The Journal of Physical Chemistry C

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Size-Dependent Electrochemical Properties of Pure Metallic Nanoparticles
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-01-27 , DOI: 10.1021/acs.jpcc.9b10962
Hongxin Ma _{1,

2} , Panpan Gao _{1,

3} , Ping Qian _{1,

3} , Yanjing Su _{1,

2}

Affiliation

A generalized size-dependent thermodynamic model was derived to describe the electrochemical properties of nanoparticles, which takes into account the effects of size-dependent stress distributions in the surface shell and core of nanoparticles, based on the thermodynamic equilibrium theory. This model can be used to simultaneously analyze the nanoparticle size, stresses, electrochemical properties, and their coupling behaviors in thermodynamic equilibrium nanoparticles. Combined with the molecular dynamics simulations, the spherical nanoparticles of pure metals (Au, Pt, Ni, Cu, and Fe) were modeled as a core–shell structure. The thermodynamic analysis showed that the anodic current density decreased with decreasing nanoparticle radius, implying that the stability of nanoparticles was enhanced, which is qualitatively consistent with some experimental observations.

中文翻译：

纯金属纳米粒子的尺寸依赖性电化学性能

基于热力学平衡理论，推导了一个广义的尺寸依赖性热力学模型来描述纳米颗粒的电化学性质，该模型考虑了纳米颗粒的表面壳和核中尺寸依赖性应力分布的影响。该模型可用于同时分析热力学平衡纳米粒子中的纳米粒子尺寸，应力，电化学性质及其耦合行为。结合分子动力学模拟，将纯金属（Au，Pt，Ni，Cu和Fe）的球形纳米颗粒建模为核-壳结构。热力学分析表明，阳极电流密度随着纳米粒子半径的减小而降低，表明纳米粒子的稳定性得到增强。

更新日期：2020-01-27

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