Nonlinear spectroscopy and interfacial structure and dynamics

2019 ◽  
Vol 151 (15) ◽  
pp. 150401
Author(s):  
Alexander Benderskii ◽  
Akihiro Morita
Keyword(s):  
Nonlinear Spectroscopy ◽  
Interfacial Structure ◽  
Structure And Dynamics

Temperature Effect on Interfacial Structure and Dynamics Properties in Polymer/Single-Chain Nanoparticle Composite

2017 ◽  
Vol 218 (16) ◽  
pp. 1700029 ◽  
Author(s):  
Xiang-Meng Jia ◽  
Rui Shi ◽  
Gui-Sheng Jiao ◽  
Tao Chen ◽  
Hu-Jun Qian ◽  
...  
Keyword(s):  
Temperature Effect ◽  
Interfacial Structure ◽  
Single Chain ◽  
Structure And Dynamics

Probing Interfacial Structure and Dynamics of Model and Natural Asphaltenes at Fluid–Fluid Interfaces

Langmuir ◽  
2020 ◽  
Vol 36 (27) ◽  
pp. 7965-7979
Author(s):  
Fernando Fajardo-Rojas ◽  
Diego Pradilla ◽  
Oscar Alberto Alvarez Solano ◽  
Joseph Samaniuk
Keyword(s):  
Interfacial Structure ◽  
Fluid Interfaces ◽  
Structure And Dynamics

Interfacial Structure and Dynamics of Siloxane Systems: PDMS−Vapor and PDMS−Water

2009 ◽  
Vol 42 (8) ◽  
pp. 3186-3194 ◽  
Author(s):  
Ahmed E. Ismail ◽  
Gary S. Grest ◽  
David R. Heine ◽  
Mark J. Stevens ◽  
Mesfin Tsige
Keyword(s):  
Interfacial Structure ◽  
Structure And Dynamics

scholarly journals Molecular Dynamics Studies on the Effects of Water Speciation on Interfacial Structure and Dynamics in Silica-Filled PDMS Composites

2001 ◽  
Vol 710 ◽  
Author(s):  
Richard H. Gee ◽  
Robert S. Maxwell ◽  
Long N. Dinh ◽  
Bryan Balazs
Keyword(s):  
Molecular Dynamics ◽  
Electrostatic Interactions ◽  
Local Density ◽  
Experimental Studies ◽  
Structural Features ◽  
Distribution Functions ◽  
Interfacial Structure ◽  
Structure And Dynamics ◽  
Contact Distance ◽  
Physisorbed Water

ABSTRACTSignificant changes in materials properties of siloxane based polymers can be obtained by the addition of inorganic fillers. In silica-filled polydimethylsiloxane (PDMS) based composites the mechanism of this reinforcing behavior is presumably hydrogen bonding between surface hydroxyls and backbone siloxane species. We have chosen to investigate in detail the effect of chemisorbed (hydroxyls) and physisorbed water on the interfacial structure and dynamics in silica-filled PDMS based composites. Toward this end, we have combined molecular dynamics simulations and experimental studies employing DMA and NMR analysis. Our results suggest that the polymer-silica contact distance and the mobility of interfacial polymer chains significantly decreased as the hydration (hydroxyl and/or physisorbed water) level at the interface was reduced. The reduced mobility of the PDMS chains in the interfacial domain reduced the overall motional properties of the polymer, thus causing an effective "stiffening" of the polymer matrix. The role of the long-ranged Coulombic interactions on the structural features and chain dynamics of the polymer were also examined. Both are found to be strongly influenced by the electrostatic interactions as identified by the bond orientation time correlation function and local density distribution functions. These results have important implications for the design of nanocomposite silica-siloxane materials.

Interfacial structure and dynamics in molecular solar cells

2007 ◽  
Author(s):  
Oliver L. A. Monti ◽  
Laura K. Schirra ◽  
Michael L. Blumenfeld ◽  
Jason M. Tyler ◽  
Brandon S. Tackett
Keyword(s):  
Solar Cells ◽  
Interfacial Structure ◽  
Structure And Dynamics
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