Element segregation and thermal stability of Ni–Pd nanoparticles

Xu, Yishuang; Wang, Gang; Qian, Ping; Su, Yanjing

doi:10.1007/s10853-022-07118-7

Cited by 10 publications

(3 citation statements)

References 49 publications

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“…For all the structures, the relative elongation of the samples linearly increased with temperature in a whole temperature range. The same behavior was shown for Ni in the experiment, and the MD simulation [91,92] featured linear expansion in the temperature range from 0 to 1800 K.…”

Section: Thermal Expansion Coefficientsupporting

confidence: 78%

Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation

2023

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In the present work, the thermal conductivity and thermal expansion coefficients of a new morphology of Ni/graphene composites are studied by molecular dynamics. The matrix of the considered composite is crumpled graphene, which is composed of crumpled graphene flakes of 2–4 nm size connected by van der Waals force. Pores of the crumpled graphene matrix were filled with small Ni nanoparticles. Three composite structures with different sizes of Ni nanoparticles (or different Ni content—8, 16, and 24 at.% Ni) were considered. The thermal conductivity of Ni/graphene composite was associated with the formation of a crumpled graphene structure (with a high density of wrinkles) during the composite fabrication and with the formation of a contact boundary between the Ni and graphene network. It was found that, the greater the Ni content in the composite, the higher the thermal conductivity. For example, at 300 K, λ = 40 W/(mK) for 8 at.% Ni, λ = 50 W/(mK) for 16 at.% Ni, and λ = 60 W/(mK) for 24 at.% Ni. However, it was shown that thermal conductivity slightly depends on the temperature in a range between 100 and 600 K. The increase in the thermal expansion coefficient from 5 × 10−6 K−1, with an increase in the Ni content, to 8 × 10−6 K−1 is explained by the fact that pure Ni has high thermal conductivity. The results obtained on thermal properties combined with the high mechanical properties of Ni/graphene composites allow us to predict its application for the fabrication of new flexible electronics, supercapacitors, and Li-ion batteries.

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Section: Thermal Expansion Coefficientsupporting

confidence: 78%

Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation

2023

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“…The stability of BMNs is also reflected in heat resistance, electrode stability, colloidal stability, and other aspects, which have important applications in electrochemistry, disease diagnosis, and treatment. Xu et al reported the element segregation characteristics and thermal stability of Ni-Pd bimetallic NPs [102]. In this study, it is confirmed that the catalytic activity and carbon deposition resistance of the Pd x Ni 1−x NP catalyst can be improved by doping Pd into Ni NP, while much more dopped-Pd atoms will gradually reduce sintering resistance.…”

Section: Stabilitysupporting

confidence: 74%

Bimetallic Nanomaterials: A Promising Nanoplatform for Multimodal Cancer Therapy

et al. 2022

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Bimetallic nanomaterials (BMNs) composed of two different metal elements have certain mixing patterns and geometric structures, and they often have superior properties than monometallic nanomaterials. Bimetallic-based nanomaterials have been widely investigated and extensively used in many biomedical fields especially cancer therapy because of their unique morphology and structure, special physicochemical properties, excellent biocompatibility, and synergistic effect. However, most reviews focused on the application of BMNs in cancer diagnoses (sensing, and imaging) and rarely mentioned the application of the treatment of cancer. The purpose of this review is to provide a comprehensive perspective on the recent progress of BNMs as therapeutic agents. We first introduce and discuss the synthesis methods, intrinsic properties (size, morphology, and structure), and optical and catalytic properties relevant to cancer therapy. Then, we highlight the application of BMNs in cancer therapy (e.g., drug/gene delivery, radiotherapy, photothermal therapy, photodynamic therapy, enzyme-mediated tumor therapy, and multifunctional synergistic therapy). Finally, we put forward insights for the forthcoming in order to make more comprehensive use of BMNs and improve the medical system of cancer treatment.

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“…Early studies of the dynamics and thermodynamics of nanoalloys [5][6][7][8][9]11,[15][16][17][18][19][20][21] evolved into an area of intense ongoing research activity (see, e. g., Refs. [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38] and the citations therein). Dynamical properties of 13-atom Ni/Al clusters have been explored and characterized using global descriptors such as caloric curve, RMS bond length fluctuation in the entire system, and specific heat.…”

Section: Results and Analysesmentioning

confidence: 99%

Analysis of Dynamical Peculiarities in Nanoalloys at Subsystems Level: Dynamical Degrees of Freedom, Temperature Differences, and the Chameleon Effect

Aleinikava

Jellinek

2023

ChemPhysChem

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A novel analysis of the dynamical behavior of nanoalloy systems, as represented by model Ni/Al 13‐atom clusters, over a broad range of energies that cover the stage‐wise transition of the systems from their solidlike to liquidlike state is presented. Conceptually, the analysis is rooted in partitioning the systems into judiciously chosen subsystems and characterizing the latter in terms of subsystem‐specific dynamical descriptors that include dynamical degrees of freedom, root‐mean‐square bond‐length fluctuation, and element‐specific subsystem temperature. The analysis reveals a host of new intriguing peculiarities in the dynamical behavior of the Ni/Al 13‐mers, among which are what we call the chameleon effect and the difference in the temperatures of the Ni and Al subsystems at high energies, a difference that strongly depends on the cluster composition and also changes with energy. These do not have an analog in pure Ni13 and Al13 and are explained in terms of the coupled effects of the difference between the masses of the Ni and Al atoms (the mass effect) and of the difference in the anharmonicity of the overall interaction potential as experienced by the Ni and Al subsystems of the clusters (the potential effect).

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Element segregation and thermal stability of Ni–Pd nanoparticles

Cited by 10 publications

References 49 publications

Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation

Thermal Expansion and Thermal Conductivity of Ni/Graphene Composite: Molecular Dynamics Simulation

Bimetallic Nanomaterials: A Promising Nanoplatform for Multimodal Cancer Therapy

Analysis of Dynamical Peculiarities in Nanoalloys at Subsystems Level: Dynamical Degrees of Freedom, Temperature Differences, and the Chameleon Effect

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