Atomistic and mesoscale interface simulation of graphite nanosheet/AgCl/polypyrrole composite

Mo, Zunli; Qiao, Li; Sun, Yong; Li, Hejun

doi:10.1016/j.commatsci.2008.12.020

Cited by 4 publications

(2 citation statements)

References 31 publications

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“…3a. This spectrum shows characteristic PPy peaks at 3429, 1448, 1300 and 1178 cm −1 , which are due to N-H stretching vibration, C-C ring stretching vibration, C-H in-plane and C-N stretching vibrations, respectively [24][25][26]. The peaks at about 1550 and 1045 cm −1 are attributed to the C C backbone stretching and N-H in-plane deformation vibration.…”

Section: Resultsmentioning

confidence: 92%

Highly sensitive humidity sensor at low humidity based on the quaternized polypyrrole composite film

Sun

Wei

et al. 2009

Sensors and Actuators B: Chemical

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Section: Resultsmentioning

confidence: 92%

Highly sensitive humidity sensor at low humidity based on the quaternized polypyrrole composite film

Sun

Wei

et al. 2009

Sensors and Actuators B: Chemical

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“…Luo et al [ 5 ] performed molecular dynamics simulations on an Al/SiC interface and calculated the bonding energy of fifteen kinds of interface atomic configurations formed by three low-index surfaces of Al and SiC. Mo et al [ 6 ] simulated three composite materials involving graphite nanosheets (NanoG)/AgCl/polymer at the atomic scale and the mesoscale using a molecular dynamics method and analyzed the interface energy and structure.…”

Section: Introductionmentioning

confidence: 99%

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale

et al. 2017

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To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view.

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Size and temperature effects on surface energy of Au and Fe nanoparticles from atomistic simulations

Haouas

Atouani²,

Sbiaai³

et al. 2022

Computational Materials Science

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Atomistic and mesoscale interface simulation of graphite nanosheet/AgCl/polypyrrole composite

Cited by 4 publications

References 31 publications

Highly sensitive humidity sensor at low humidity based on the quaternized polypyrrole composite film

Highly sensitive humidity sensor at low humidity based on the quaternized polypyrrole composite film

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale

Size and temperature effects on surface energy of Au and Fe nanoparticles from atomistic simulations

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