Structure patterns of one-step synthesis of CuNi nanopowders in air environment: Experiment and atomistic simulations

IF 5.45 Q1 Physics and Astronomy

Nano-Structures & Nano-Objects Pub Date : 2024-10-05 DOI:10.1016/j.nanoso.2024.101377

Valentin Romanovski , Nickolay Sdobnyakov , Andrey Kolosov , Kseniya Savina , Nikita Nepsha , Dmitry Moskovskikh , Illia Dobryden , Zhaowei Zhang , Evgenii Beletskii , Elena Romanovskaia

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引用次数: 0

Abstract

A possibility for one-step synthesis of bimetallic CuNi nanopowders in a different ratio of Ni to Cu by solution combustion synthesis technique under normal air atmosphere without any post reduction is reported. The effect of different types of fuels like citric acid and glycine on the combustion process and characteristics of resultant solid products were investigated. XRD results showed the existing of CuNi as a main phase and small amounts of CuO and (Ni,Cu)₄N. Determined CuNi particle sizes were in the range of up to 50 nm. Computer simulation was performed using the molecular dynamics method for similar concentration compositions, but in size range of 4.5–5.5 nm, as a result of cooling the system from 1700 K to 300 K. In addition, two types of melting scenario of binary CuNi NPs were studied: 1) heterogeneous melting of monocrystalline Cu and Ni NPs; 2) melting of the crystallization products of binary NPs. Melting temperatures weakly depend on the choice of the above-mentioned melting scenario. However, the nature of subsequent crystallization can be influenced by the initial energy of the system, which is higher for case 1. The characteristic temperatures of phase transitions of melting and crystallization are determined based on the analysis of hysteresis loops of the specific potential part of the internal energy of NPs. The patterns of atomic and structural segregation in binary CuNi NPs were studied.

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在空气环境中一步合成铜镍纳米粉体的结构模式：实验与原子模拟

报告了在正常空气环境下通过溶液燃烧合成技术一步合成不同镍铜比例的双金属铜镍纳米粉体的可能性，无需任何后置还原。研究了不同类型的燃料（如柠檬酸和甘氨酸）对燃烧过程的影响以及生成的固体产物的特性。XRD 结果显示，CuNi 是主要相，还有少量的 CuO 和 (Ni,Cu)4N。测定的 CuNi 粒径最大为 50 纳米。使用分子动力学方法对类似浓度成分进行了计算机模拟，但粒度范围为 4.5-5.5 nm，这是系统从 1700 K 冷却到 300 K 的结果。此外，还研究了二元铜镍 NPs 的两种熔化情况：1）单晶铜和镍 NPs 的异质熔化；2）二元 NPs 结晶产物的熔化。熔化温度与上述熔化方案的选择关系不大。然而，后续结晶的性质会受到系统初始能量的影响，而情况 1 的初始能量较高。熔化和结晶相变的特征温度是根据对 NPs 内能特定势能部分滞后环的分析确定的。研究了二元铜镍 NPs 中原子和结构偏析的模式。

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来源期刊

Nano-Structures & Nano-Objects Physics and Astronomy-Condensed Matter Physics

CiteScore

9.20

自引率

0.00%

发文量

审稿时长

22 days

期刊介绍： Nano-Structures & Nano-Objects is a new journal devoted to all aspects of the synthesis and the properties of this new flourishing domain. The journal is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. The journal is focused on the objects rather than on their applications. However, the research for new applications of original nano-structures & nano-objects in various fields such as nano-electronics, energy conversion, catalysis, drug delivery and nano-medicine is also welcome. The scope of Nano-Structures & Nano-Objects involves: -Metal and alloy nanoparticles with complex nanostructures such as shape control, core-shell and dumbells -Oxide nanoparticles and nanostructures, with complex oxide/metal, oxide/surface and oxide /organic interfaces -Inorganic semi-conducting nanoparticles (quantum dots) with an emphasis on new phases, structures, shapes and complexity -Nanostructures involving molecular inorganic species such as nanoparticles of coordination compounds, molecular magnets, spin transition nanoparticles etc. or organic nano-objects, in particular for molecular electronics -Nanostructured materials such as nano-MOFs and nano-zeolites -Hetero-junctions between molecules and nano-objects, between different nano-objects & nanostructures or between nano-objects & nanostructures and surfaces -Methods of characterization specific of the nano size or adapted for the nano size such as X-ray and neutron scattering, light scattering, NMR, Raman, Plasmonics, near field microscopies, various TEM and SEM techniques, magnetic studies, etc .