胶体量子点： 3. 量子点结构的分子动力学模拟

IF 0.9 4区化学 Q4 CHEMISTRY, PHYSICAL

High Energy Chemistry Pub Date : 2024-08-14 DOI:10.1134/s0018143924700176

A. V. Nevidimov, V. F. Razumov

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引用次数: 0

摘要

摘要介绍了目前研究最多的基于硒化镉纳米粒子的 CQD 晶体结构的分子动力学模拟结果，并详细讨论了与这些纳米粒子配体外壳结构有关的问题，这些配体外壳主要由三辛基膦（TOP）和三辛基氧化膦（TOPO）分子构成，在形成 CQD 的化学反应中充当介质和前体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Colloidal Quantum Dots: 3. Molecular Dynamics Simulation of Quantum Dot Structure

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Colloidal Quantum Dots: 3. Molecular Dynamics Simulation of Quantum Dot Structure

Abstract

The results of molecular dynamics simulation of the crystal structure of the currently most studied CQDs, based on cadmium selenide nanoparticles, are presented, and issues concerning the structure of the ligand shell of these nanoparticles, primarily made of trioctylphosphine (TOP) and trioctylphosphine oxide (TOPO) molecules, which act as a medium and as precursors in the chemical reaction that results in the formation of CQDs, are discussed in detail.

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来源期刊

High Energy Chemistry 化学-物理化学

CiteScore

1.50

自引率

28.60%

发文量

审稿时长

6-12 weeks

期刊介绍： High Energy Chemistry publishes original articles, reviews, and short communications on molecular and supramolecular photochemistry, photobiology, radiation chemistry, plasma chemistry, chemistry of nanosized systems, chemistry of new atoms, processes and materials for optical information systems and other areas of high energy chemistry. It publishes theoretical and experimental studies in all areas of high energy chemistry, such as the interaction of high-energy particles with matter, the nature and reactivity of short-lived species induced by the action of particle and electromagnetic radiation or hot atoms on substances in their gaseous and condensed states, and chemical processes initiated in organic and inorganic systems by high-energy radiation.