Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric field

2018 ◽  
Vol 20 (27) ◽  
pp. 18699-18706 ◽  
Author(s):  
Feng-Wei Gao ◽  
Hong-Liang Xu ◽  
Shabbir Muhammad ◽  
Zhong-Min Su
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
External Electric Fields ◽  
Optical Responses ◽  
Intermolecular Charge Transfer

External electric fields were found to induce intra- and intermolecular charge transfer and strengthen the second-order nonlinear optical responses of π-dimers.

Tuning the inter-molecular charge transfer, second-order nonlinear optical and absorption spectra properties of a π-dimer under an external electric field

2017 ◽  
Vol 19 (47) ◽  
pp. 31958-31964 ◽  
Author(s):  
Feng-Wei Gao ◽  
Hong-liang Xu ◽  
Zhong-Min Su
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Electric Fields ◽  
Nonlinear Optical ◽  
Stability Control ◽  
External Electric Fields ◽  
Optical Responses ◽  
Molecular Charge ◽  
Spectra Properties ◽  
The Stability

Different strengths of external electric fields enhance the stability, control the inter-molecular charge transfer and strengthen the nonlinear optical responses of a π-dimer.

The shape selectivity of corannulene dimers based on concave–convex and convex–convex shape complementarity as hosts for C60 and C70

2021 ◽  
Vol 23 (1) ◽  
pp. 405-414
Author(s):  
Li Wang ◽  
Yan-Li Liu ◽  
Sheng-Hui Chen ◽  
De He ◽  
Quan-Jiang Li ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Shape Selectivity ◽  
Nonlinear Optical Response ◽  
Convex Shape ◽  
Shape Complementarity ◽  
Intermolecular Charge Transfer

The convex–convex interaction was shown to be helpful for producing more obvious intermolecular charge transfer and a larger nonlinear optical response than the concave–convex interaction.

PRELIMINARY OPTICAL STUDY ON ER FLUIDS

1994 ◽  
Vol 08 (20n21) ◽  
pp. 2921-2933 ◽  
Author(s):  
L. W. ZHOU ◽  
J. F. YE ◽  
R. B. TAO ◽  
Y. TANG ◽  
J. F. PENG ◽  
...  
Keyword(s):  
Phase Transition ◽  
Electric Field ◽  
Electric Fields ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Optical Response ◽  
Optical Study ◽  
Solid States ◽  
Linear And Nonlinear ◽  
Er Fluids

Linear and nonlinear optical study on electrorheological (ER) fluids is reported. The ER fluids under the investigation were glass beads, zeolite and ferroelectrics. The linear optical response of some ER fluids showed sharp changes near critical electric fields. An enhancement of electric field induced second harmonic generations (EFISH) was observed as the function of E2, where E is the external electric field. The said enhancement is considered to be corresponding to a modulation of the material's refractive index associated with the electric field induced polarization of the delocalized electrons. The enhanced nonlinear optical response on the transition between liquid and solid states can be related to the phase transition in ER fluids.

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

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