Pt纳米晶体的尺寸依赖性催化活化能

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2025-03-18 DOI:10.1016/j.cplett.2025.142033

Ruiyi Fu , Feng Zhou , Hongxiang Si , Beibei Xiao , Xiaobao Jiang

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引用次数: 0

摘要

基于尺寸依赖的熔融模型，我们提出了一个描述Pt纳米晶体催化活化能Ea(D)/Ea的热力学表达式。随着粒径的减小，Ea(D)/Ea曲线逐渐减小，这与我们模型的预测以及其他理论模型和实验结果一致。此外，我们发现Ea(D)/Ea与纳米晶体表面原子与原子位移的均方根比σs(D)(Che and Bennett, n.d.2)/σv(D)（Che and Bennett, n.d.2）相关，且尺寸越小，相关性越大。对于不同尺寸的纳米晶体，我们发现Ea(D)/Ea纳米颗粒的尺寸依赖性最强，其次是纳米线，薄膜的尺寸依赖性最弱。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Size-dependent catalytic activation energy of Pt nanocrystals

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Size-dependent catalytic activation energy of Pt nanocrystals

Based on a size-dependent melting model, we present a thermodynamic expression to describe the catalytic activation energy E_a(D)/E_a of Pt nanocrystals. As the size drops, the E_a(D)/E_a curves gradually decrease, which is consistent with the prediction of our model and other theoretical models and experimental results. In addition, we find that E_a(D)/E_a is correlated with the root mean square displacement ratio of the surface atoms to the atoms in the nanocrystals σ_s(D)(Che and Bennett, n.d.²⁾/σ_v(D)(Che and Bennett, n.d.²⁾, and the smaller the size, the greater the correlation. For nanocrystals of different dimensions, we find that the E_a(D)/E_a nanoparticles exhibit the strongest size dependence, followed by nanowires, and that of thin film is the weakest.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.