The electronic response of pristine, Al and Si doped BC2N nanotubes to a cathinone molecule: Computational study

2017 ◽  
Vol 111 ◽  
pp. 238-244 ◽  
Author(s):  
Kamellia Nejati ◽  
Esmail Vessally ◽  
Parvaneh Delir Kheirollahi Nezhad ◽  
Hadi Mofid ◽  
Ahmadreza Bekhradnia
Keyword(s):  
Computational Study ◽  
Electronic Response ◽  
Si Doped ◽  
Bc2n Nanotubes

scholarly journals Coherent Exciton Dynamics in Ensembles of Size-Dispersed CdSe Quantum Dot Dimers Probed via Ultrafast Spectroscopy: A Quantum Computational Study

2020 ◽  
Vol 10 (4) ◽  
pp. 1328 ◽  
Author(s):  
Hugo Gattuso ◽  
Barbara Fresch ◽  
Raphael D. Levine ◽  
Françoise Remacle
Keyword(s):  
Transient Absorption ◽  
Computational Study ◽  
Laser Pulses ◽  
Transient Absorption Spectroscopy ◽  
Basis Set ◽  
Charge Migration ◽  
Pump Probe ◽  
Electronic Response ◽  
Charge Transfer Excitons ◽  
Interdot Coupling

Interdot coherent excitonic dynamics in nanometric colloidal CdSe quantum dots (QD) dimers lead to interdot charge migration and energy transfer. We show by electronic quantum dynamical simulations that the interdot coherent response to ultrashort fs laser pulses can be characterized by pump-probe transient absorption spectroscopy in spite of the inevitable inherent size dispersion of colloidal QDs. The latter, leading to a broadening of the excitonic bands, induce accidental resonances that actually increase the efficiency of the interdot coupling. The optical electronic response is computed by solving the time-dependent Schrodinger equation including the interaction with the oscillating electric field of the pulses for an ensemble of dimers that differ by their size. The excitonic Hamiltonian of each dimer is parameterized by the QD size and interdot distance, using an effective mass approximation. Local and charge transfer excitons are included in the dimer basis set. By tailoring the QD size, the excitonic bands can be tuned to overlap and thus favor interdot coupling. Computed pump-probe transient absorption maps averaged over the ensemble show that the coherence of excitons in QD dimers that lead to interdot charge migration can survive size disorder and could be observed in fs pump-probe, four-wave mixing, or covariance spectroscopy.

A selective NO sensor based on the semiconducting BC2N nanotubes: a computational study

2020 ◽  
Vol 118 (24) ◽  
pp. e1798528
Author(s):  
Yongqiu Liu ◽  
Chao Liu ◽  
Ajit Kumar
Keyword(s):  
Computational Study ◽  
Bc2n Nanotubes ◽  
No Sensor

A computational study on the SO2 adsorption by the pristine, Al, and Si doped BN nanosheets

2016 ◽  
Vol 100 ◽  
pp. 350-357 ◽  
Author(s):  
F. Behmagham ◽  
E. Vessally ◽  
B. Massoumi ◽  
A. Hosseinian ◽  
L. Edjlali
Keyword(s):  
Computational Study ◽  
So2 Adsorption ◽  
Si Doped

First principles study of Si-doped BC2N nanotubes

2009 ◽  
Vol 130 (11) ◽  
pp. 114710 ◽  
Author(s):  
C. J. Rupp ◽  
J. Rossato ◽  
R. J. Baierle
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Si Doped ◽  
Bc2n Nanotubes

The study of interfacial reactions of nickel thin films on GaAs

1983 ◽  
Vol 41 ◽  
pp. 156-157
Author(s):  
L.J. Chen ◽  
Y.F. Hsieh
Keyword(s):  
Thin Films ◽  
Integrated Circuits ◽  
Interfacial Reactions ◽  
Metal Contacts ◽  
Nickel Thin Films ◽  
Thin Foils ◽  
The Status ◽  
Si Doped ◽  
Electron Microscopes

One measure of the maturity of a device technology is the ease and reliability of applying contact metallurgy. Compared to metal contact of silicon, the status of GaAs metallization is still at its primitive stage. With the advent of GaAs MESFET and integrated circuits, very stringent requirements were placed on their metal contacts. During the past few years, extensive researches have been conducted in the area of Au-Ge-Ni in order to lower contact resistances and improve uniformity. In this paper, we report the results of TEM study of interfacial reactions between Ni and GaAs as part of the attempt to understand the role of nickel in Au-Ge-Ni contact of GaAs.N-type, Si-doped, (001) oriented GaAs wafers, 15 mil in thickness, were grown by gradient-freeze method. Nickel thin films, 300Å in thickness, were e-gun deposited on GaAs wafers. The samples were then annealed in dry N2 in a 3-zone diffusion furnace at temperatures 200°C - 600°C for 5-180 minutes. Thin foils for TEM examinations were prepared by chemical polishing from the GaA.s side. TEM investigations were performed with JE0L- 100B and JE0L-200CX electron microscopes.

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