da Silva José Adriano, Netz Paulo Augusto, Meneghetti Mario Roberto
Grupo de Catálise e Reatividade Química - GCaR, Instituto de Química e Biotecnologia, Universidade Federal de Alagoas, Av. Lourival de Melo Mota, s/n, CEP, Maceió, Alagoas 57072-900, Brazil.
Instituto de Química, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves, 9500, CEP, Porto Alegre, Rio Grande do Sul 91501-970, Brazil.
J Chem Inf Model. 2025 Mar 24;65(6):2730-2740. doi: 10.1021/acs.jcim.4c02009. Epub 2025 Feb 28.
The unique properties of gold nanorods (AuNRs), combined with their relatively straightforward production, good yields, and satisfactory control over size and shape, have sparked considerable interest in their potential applications. However, the mechanism behind these particles' formation continues to be a subject of significant interest and debate. Many experimental studies have been designed and undertaken to understand how AuNRs can be produced through seed-mediated methods. In recent years, quantum mechanics and molecular dynamics simulations have added to the repertoire of tools for investigating this topic. By comparing simulations with experimental data, essential aspects of the anisotropic growth of AuNRs can be revealed. This review presents an overview of the mechanisms proposed for creating AuNRs through seed-mediated methods, grounded in both experimental and simulation studies, and also highlights some remaining gaps in our understanding of the anisotropic growth process that need further exploration.
金纳米棒（AuNRs）的独特性质，再加上其相对简单的制备过程、高产量以及对尺寸和形状的良好控制，引发了人们对其潜在应用的浓厚兴趣。然而，这些粒子形成背后的机制仍然是一个备受关注和争议的话题。为了理解如何通过种子介导法制备金纳米棒，人们设计并开展了许多实验研究。近年来，量子力学和分子动力学模拟也加入到了研究这一课题的工具库中。通过将模拟结果与实验数据进行比较，可以揭示金纳米棒各向异性生长的关键方面。本综述基于实验和模拟研究，概述了通过种子介导法制备金纳米棒的相关机制，并强调了我们在理解各向异性生长过程中仍存在的一些需要进一步探索的空白。
