Surface-induced changes of the optical response of particles in nanoscaled layered systems: a combined experimental and theoretical study

1998 ◽  
Author(s):  
Frank Balzer ◽  
Vladimir G. Bordo ◽  
Horst-Guenter Rubahn
Keyword(s):  
Theoretical Study ◽  
Optical Response ◽  
Layered Systems ◽  
Induced Changes

Theoretical study of the optical response of the adsorption of Sb on the GaAs(110) surface

2008 ◽  
Vol 5 (8) ◽  
pp. 2604-2609 ◽  
Author(s):  
Bernardo S. Mendoza ◽  
N. Arzate ◽  
R. A. Vázquez-Nava
Keyword(s):  
Theoretical Study ◽  
Optical Response

A Theoretical Study of the Lubricating Abilities of 2D Layered Hydrogen Bonded Systems

2018 ◽  
Author(s):  
Chloe Graham
Keyword(s):  
Self Assembly ◽  
Molecular Mechanisms ◽  
Theoretical Study ◽  
Financial Impact ◽  
Layered Systems ◽  
Friction Forces ◽  
Slip Mechanism ◽  
Hands On ◽  
Hydrogen Bonded Systems ◽  
Short Time

It has been estimated that 100 million terajoules of energy is used every year to combat friction. For perspective, this corresponds to one fifth of the world’s total energy expenditure. This significant amount leaves plenty of room for improvement. To reduce the environmental and financial impact of friction, lubricants are usually placed in mechanical systems and act as a barrier between moving parts. Lubricants come in many forms but they all have low energy slip mechanisms and resistance to conformational change under pressure. Chemicals with these properties can be predicted through some educated guesswork and computational simulations. Its advantageous to look at novel lubricants computationally because each small reaction can be analyzed, whereas in the lab it may be difficult to see the molecular mechanisms taking place in such short time spans. Additionally, computation is more environmentally friendly than hands-on testing because no chemicals are used. My research studies compounds found in nature and assesses their potential for use as lubricants. The focus of my studies has been on layered systems of melamine molecules that self-assemble into two-dimensional structures through hydrogen bonding. The layered nature of this system is similar to that of graphite – an effective layered lubricant; however, the reversibility of self-assembly may allow the layered structure to reform when disrupted during sliding to increase the robustness of the system. In this presentation, I will discuss the results of my simulations, with an emphasis on the structure of the system, the slip mechanism, slip energetics and friction forces.

A theoretical study of the structures and optical spectra of helical copper–silver clusters

2014 ◽  
Vol 16 (39) ◽  
pp. 21039-21048 ◽  
Author(s):  
Christopher J. Heard ◽  
Roy L. Johnston
Keyword(s):  
Significant Role ◽  
Theoretical Study ◽  
Response Spectra ◽  
Optical Response ◽  
Optical Spectra ◽  
Electronic Transitions ◽  
Silver Clusters ◽  
Local Geometry ◽  
Icosahedral Clusters

Optical response spectra of AgnCu13−n+ Bernal spiral clusters show subtle variations by dopant site and loading. Comparison to nanorod-like and icosahedral clusters shows local geometry plays a significant role in electronic transitions at the sub-nanoscale.

Pressure-induced changes in the optical response of the quasi-1D organic salt (TMTTF)2AsF6

2006 ◽  
Vol 142 (3-4) ◽  
pp. 559-562 ◽  
Author(s):  
A. Pashkin ◽  
C. A. Kuntscher ◽  
M. Dressel
Keyword(s):  
Optical Response ◽  
Organic Salt ◽  
Induced Changes

Theoretical study on functionalized acrylonitrile compounds with a large second-order nonlinear optical response

2020 ◽  
Vol 44 (45) ◽  
pp. 19623-19629
Author(s):  
Lijing Gong ◽  
Cheng Ma ◽  
Tiejun Liu ◽  
Jinkai Lv ◽  
Xianchao Xun
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Nonlinear Optical Response

The nonlinear optical properties of the studied compounds were studied with the help of DFT calculations.

Theoretical study of mechanisms of non-linear optical response in liquid crystals

1993 ◽  
Vol 15 (1) ◽  
pp. 75-85 ◽  
Author(s):  
C. W. Greeff ◽  
J. Lu ◽  
Michael A. Lee
Keyword(s):  
Liquid Crystals ◽  
Theoretical Study ◽  
Optical Response ◽  
Non Linear ◽  
Linear Optical
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