Electric Field Effect on Condensed-Phase Molecular Systems. X. Interconversion Dynamics and Vibrational Stark Effect of Hydrogen Chloride Clusters in an Argon Matrix

2020 ◽  
Vol 124 (22) ◽  
pp. 4581-4589 ◽  
Author(s):  
Hani Kang ◽  
Youngwook Park ◽  
Sunghwan Shin ◽  
Heon Kang
Keyword(s):  
Electric Field ◽  
Hydrogen Chloride ◽  
Condensed Phase ◽  
Field Effect ◽  
Stark Effect ◽  
Electric Field Effect ◽  
Argon Matrix ◽  
Molecular Systems

scholarly journals Stark Effects on Band Gap and Surface Phonons of Semiconductor Quantum Dots in Dielectric Hosts

1995 ◽  
Vol 405 ◽  
Author(s):  
R. Mu ◽  
A. Ueda ◽  
Y -S. Tung ◽  
D. O. Henderson ◽  
Jane G. Zhu ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electric Field ◽  
Field Effect ◽  
Stark Effect ◽  
Center Frequency ◽  
Cdse Nanocrystals ◽  
Electric Field Effect ◽  
Surface Phonon ◽  
Quantum Confined ◽  
Surface Phonons

AbstractWe have investigated quantum-confined Stark effect (QCSE) on GaAs and CdSe nanocrystals and the electric field effect on surface phonons of GaAs nanocrystals isolated in sapphire substrates. For a strongly quantum-confined system, GaAs quantum dots illustrated no exciton energy shift. When the excitons are weakly confined in CdSe, a ∼ 2 meV red-shift was observed. On the other hand, the results of the electric field effect on surface phonon are dramatic both phonon oscilator strength and freqnency. As the strength of the electric field increases, the total intensity of the surface phonon decreases. At the same time, an additional peak was also observed at 277 cm-1, which is about 3 cm-1 above the center frequency of the surface phonon mode of GaAs nanocrystals embedded in a sapphire host.

scholarly journals Quantum Study of Symmetrical/asymmetrical Chare/Energy Transfer in a Simple Candidate Molecular Switch

2021 ◽  
Author(s):  
Hamid Hadi ◽  
Reza Safari ◽  
Hamid Reza Shamlouei
Keyword(s):  
Electric Field ◽  
Field Effect ◽  
Energy Charge ◽  
Molecular Switch ◽  
Atomic Scale ◽  
Gold Electrodes ◽  
Electric Field Effect ◽  
Molecular Systems ◽  
New Horizons

Abstract Based on molecular nanoelectronic knowledge, field-effect molecular electronic devices can be designed for use in nano-circuits. Therefore, in this study, a candidate field-effect molecular switch (isolated, M, and non-isolated, Au-M-Au/Au4-M-Au4, molecular systems) is studied, using density function/pseudopotential model (DFT/LANL2DZ). This molecular switch's switching mechanism (ON/OFF) we performed by applying an external electric field-effect. In this regard, some computational studies related to this molecular switch's electronic/vibrational transfer properties were investigated. Also, used from the quantum theory of atoms in the molecule (QTAIM), Landauer's theory (LT), and energy/charge transfer mechanisms were used at the atomic scale to predict this molecular switch's voltage-current (IV) behavior. Analysis of these results showed that when the intensity of the applied electric field increases to 0.008 au, the molecular switch is in the ON state. In addition, the role of gold electrodes on some of the electronic/vibrational properties of this molecular switch was investigated. Analysis of the results showed that gold electrodes play an essential role in the local distribution of charge and intramolecular energy and, consequently, the I/V diagram of this molecular switch. It is expected that such quantum-based research (without using numerical methods such as Green's function methods) could open new horizons in the quantum study of molecular parts at the atomic-intramolecular scale.

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