Switchable Binding Energy of Ionic Compounds and Application in Customizable Ligand Exchange for Colloid Nanocrystals,The Journal of Physical Chemistry Letters

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Switchable Binding Energy of Ionic Compounds and Application in Customizable Ligand Exchange for Colloid Nanocrystals
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-06-01 , DOI: 10.1021/acs.jpclett.1c00669
Lingwei Li ₁ , Hongjun You ₂ , Lijun Zhao ₂ , Ruiyuan Zhang ₁ , Muhammad Usman Amin ₁ , Jixiang Fang ₁

Affiliation

The ability to engineer the surface ligands or adsorbed molecules on colloid nanocrystals (NCs) is important for various applications, as the physical and chemical properties are strongly affected by the surface chemistry. Here, we develop a facile and generalized ionic compound-mediated ligand-exchange strategy based on density functional theory calculations, in which the ionic compounds possess switchable bonding energy when they transfer between the ionized state and the non-ionized state, hence catalyzing the ligand-exchange process. By using an organic acid as the intermediate ligand, ligands such as oleylamine, butylamine, polyvinylpyrrolidone, and poly(vinyl alcohol) can be freely exchanged on the surface of Au NCs. Benefiting from this unique ligand-exchange strategy, the ligands with strong bonding energy can be replaced by weak ones, which is hard to realize in traditional ligand-exchange processes. The ionic compound-mediated ligand exchange is further utilized to improve the catalytic properties of Au NCs, facilitate the loading of nanoparticles on substrates, and tailor the growth of colloid NCs. These results indicate that the mechanism of switchable bonding energy can be significantly expanded to manipulate the surface property and functionalization of NCs that have applications in a wide range of chemical and biomedical fields.

中文翻译：

离子化合物的可切换结合能及其在胶体纳米晶体可定制配体交换中的应用

在胶体纳米晶体 (NCs) 上设计表面配体或吸附分子的能力对于各种应用很重要，因为物理和化学性质受到表面化学的强烈影响。在这里，我们开发了一种基于密度泛函理论计算的简单而通用的离子化合物介导的配体交换策略，其中离子化合物在电离态和非电离态之间转移时具有可切换的键能，从而催化配体- 交换过程。通过使用有机酸作为中间配体，油胺、丁胺、聚乙烯吡咯烷酮和聚乙烯醇等配体可以在Au NCs表面自由交换。受益于这种独特的配体交换策略，具有强键能的配体可以被弱键取代，这在传统的配体交换过程中很难实现。离子化合物介导的配体交换进一步用于改善 Au NCs 的催化性能，促进纳米粒子在基材上的负载，并调整胶体 NCs 的生长。这些结果表明，可切换键能的机制可以显着扩展以操纵 NCs 的表面性质和功能化，这些 NCs 在广泛的化学和生物医学领域都有应用。

更新日期：2021-06-10

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