Title of article
Molecular dynamics simulation of temperature effect on dendrimer/NanoGs/PPy interface material
Author/Authors
Sun، نويسنده , , Yaling and Mo، نويسنده , , Zunli and Chen، نويسنده , , Hong and Guo، نويسنده , , Ruibin and Qiao، نويسنده , , Lijun and Li، نويسنده , , Hejun، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
5
From page
162
To page
166
Abstract
Temperature effect of dendrimer/graphite nanosheets/polypyrrole (dendrimer/NanoGs /PPy) interface material has been investigated by molecular dynamics (MD) simulation to reveal its work mechanism as molecular thermoswitch (temperature sensitive switch). Interfacial energy, structure and thermoswitch mechanism were studied in temperature range of 300–440 K. Effective interaction, uniform distribution and appropriate coating of interfaces lead to the high compatibility at 360 K. Incompact and weak coating interfaces result in steady and low compatibility at 340 K and 400 K, respectively. The dendrimer/NanoGs/PPy interface material working as a thermoswitch is realized by geometry change of dendrimer driven by its interfacial interactions with PPy and NanoGs at various temperatures.
Keywords
Interface structure , dendrimer , Thermoswitch , Temperature effect
Journal title
Computational Materials Science
Serial Year
2009
Journal title
Computational Materials Science
Record number
1686451
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