Preparation of CdSe / RGO-GO composites with the high performance of adsorption and degradation

Sun, Jiancheng; Bai, Zhongchen; Huang, Z. J.; Zhang, Zheng

doi:10.22226/2410-3535-2020-2-200-205

Cited by 7 publications

(2 citation statements)

References 20 publications

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“…The search for graphene/metal composites is a new and actively developing branch of composite technologies [ 1 , 2 , 3 , 4 ]. The main component of these composites is graphene, which has low weight, high strength, and flexibility, as well as high electrical and thermal conductivity [ 5 , 6 , 7 , 8 , 9 ]. Such unique properties of graphene, added to the metal matrix, lead to the formation of composites with special properties that have use for future applications.…”

Section: Introductionmentioning

confidence: 99%

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: Introductionmentioning

confidence: 99%

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

2023

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“…% [10]. Therefore, many theoretical and experimental works have been carried out to find ways to increase the sorption capacity of carbon structures [11][12][13][14][15][16][17][18][19][20]. These works have demonstrated that reduction of the temperature and increasing of pressure have a very positive effect on the hydrogen storage by carbon structures.…”

Section: Introductionmentioning

confidence: 99%

Effect of external pressure on the hydrogen storage capacity of a graphene flake: molecular dynamics

2022

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The hydrogenation process of a crumpled graphene flake under the temperature and pressure is calculated by molecular dynamics. A graphene flake is placed in a hydrogen atmosphere containing both atomic and molecular hydrogen and exposed at finite temperature and pressure in an isothermal-isobaric (NPT) ensemble. Results show that the best gravimetric density is achieved at 77 K and external pressure of 140 atm. However, the increase in the gravimetric density at 77 K is due to the physical adsorption of hydrogen molecules, i.e., van der Waals forces are formed between the carbon surface and H 2 molecules. At room temperature, the number of H atoms that formed a covalent bond with the edge C atoms increases during exposure at this temperature. The molecular dynamics simulation demonstrates that different types of hydrogen adsorption by a graphene flake predominate at two temperatures: at 77 K, physical adsorption plays the main role, and at 300 K, chemical adsorption. And the combination of high external pressure and low temperature makes it possible to achieve high values of a hydrogen sorption.

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Interatomic potentials for graphene reinforced metal composites: Optimal choice

Safina,

Rozhnova,

Krylova

et al. 2024

Computer Physics Communications

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Preparation of CdSe / RGO-GO composites with the high performance of adsorption and degradation

Cited by 7 publications

References 20 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

Effect of external pressure on the hydrogen storage capacity of a graphene flake: molecular dynamics

Interatomic potentials for graphene reinforced metal composites: Optimal choice

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