A size-dependent structural evolution of ZnS nanoparticles

Khalkhali, Mohammad; Liu, Qingxia; Zeng, Hongbo; Zhang, Hao

doi:10.1038/srep14267

Cited by 35 publications

(38 citation statements)

References 42 publications

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“…The first peak distance becomes larger as particle size increases. A similar observation is also found in nanometer-sized crystalline ZnS particles 42 , 43 . To dig out details of local atomic structure in particles, the core-and-shell model in the inset of Fig.…”

Section: Resultssupporting

confidence: 83%

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

Zhang

Liu

et al. 2017

Sci Rep

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The size effect on atomic structure of a Cu64Zr36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample size strongly affects local atomic structure in both Cu64Zr36 SSAPs and SSAFs, which are composed of core and shell (surface) components. Compared with core component, the shell component of SSAPs has lower average coordination number and average bond length, higher degree of ordering, and lower packing density due to the segregation of Cu atoms on the shell of Cu64Zr36 SSAPs. These atomic structure differences in SSAPs with various sizes result in different glass transition temperatures, in which the glass transition temperature for the shell component is found to be 577 K, which is much lower than 910 K for the core component. We further extended the size effect on the structure and glasses transition temperature to Cu64Zr36 SSAFs, and revealed that the T g decreases when SSAFs becomes thinner due to the following factors: different dynamic motion (mean square displacement), different density of core and surface and Cu segregation on the surface of SSAFs. The obtained results here are different from the results for the size effect on atomic structure of nanometer-sized crystalline metallic alloys.

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Section: Resultssupporting

confidence: 83%

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

Zhang

Liu

et al. 2017

Sci Rep

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“…It has been shown that nanoparticles can go through massive surface relaxations, sometimes, can even change their crystal structures. 27,28 Moreover, these methods cannot provide information about the effect of the line tension when a possible size effect at the nanoscale is of interest.…”

Section: Introductionmentioning

confidence: 99%

Wetting at the nanoscale: A molecular dynamics study

Khalkhali

Kazemi

Zhang

et al. 2017

The Journal of Chemical Physics

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A novel method to calculate the solid-liquid contact angle is introduced in this study. Using the 3D configuration of a liquid droplet on a solid surface, this method calculates the contact angle along the contact line and provides an angular distribution. Although this method uses the 3D configuration of liquid droplets, it does not require the calculation of the 3D density profile to identify the boundaries of the droplet. This decreases the computational cost of the contact angle calculation greatly. Moreover, no presumption about the shape of the liquid droplet is needed when using the method introduced in this study. Using this method, the relationship between the size and the contact angle of water nano-droplets on a graphite substrate was studied. It is shown that the contact angle generally decreases by increasing the size of the nano-droplet. The microscopic contact angle of 83.0° was obtained for water on graphite which is in a good agreement with previous experimental and numerical studies. Neglecting other nanoscale effects which may influence the contact angle, the line tension of SPC/E (extended simple point charge model) water was calculated to be 3.6×10 N, which is also in good agreement with the previously calculated values.

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“…This is evidence of reduced crystallinity in nanoparticles [15]. Also, since the ionic radius of Mo +6 (0.065 nm) is smaller than the ionic radius of Zn 2+ (0.074 nm), it may cause a stress in the lattice [16].…”

Section: Resultsmentioning

confidence: 97%

INVESTIGATION OF STRUCTURAL PROPERTIES OF ZnS AND Mo-DOPED ZnS NANOPARTİCLES ANNEALED IN H2S MEDIUM

Şahi̇n

Horoz

Ekinci

2021

Journal of Amasya University the Institute of Sciences and Technology

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In this study, the structural properties of Mo-doped ZnS nanoparticles (NPs), which were synthesized at room temperature using the successive ionic layer adsorption and reaction (SILAR) method and annealed in H2S gas for 1 hour at 550 o C, were investigated. The XRD result shows that ZnS and Mo Doped ZnS NPs are in lattice cubic structure. The average crystal size of NPs was calculated using the Debye − Scherrer formula. The crystal size of the pure ZnS NPs varied with doping. The average crystalline size of ZnS and Mo-doped ZnS NPs were found as 5.5nm nd 4.3 nm, respectively.

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A size-dependent structural evolution of ZnS nanoparticles

Cited by 35 publications

References 42 publications

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

Wetting at the nanoscale: A molecular dynamics study

INVESTIGATION OF STRUCTURAL PROPERTIES OF ZnS AND Mo-DOPED ZnS NANOPARTİCLES ANNEALED IN H2S MEDIUM

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