Single-wall Boron Nitride Nanotube with Various Diameters under the Influence of Electric Field, A Computational Investigation

2012 ◽  
Vol 59 (8) ◽  
pp. 961-966 ◽  
Author(s):  
Davood Farmanzadeh ◽  
Samereh Ghazanfary
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Boron Nitride Nanotube ◽  
Computational Investigation

POLARIZABILITY AND SHIELDING OF COAXIAL HYBRID DOUBLE-WALLED NANOTUBES: A FIRST-PRINCIPLES STUDY

2008 ◽  
Vol 07 (04) ◽  
pp. 793-803
Author(s):  
NUANXIANG LI ◽  
QUNXIANG LI ◽  
HAIBIN SU ◽  
Q. W. SHI ◽  
JINLONG YANG
Keyword(s):  
Carbon Nanotube ◽  
Boron Nitride ◽  
Electric Field ◽  
Electronic Properties ◽  
External Electric Field ◽  
First Principles ◽  
Electronic Structures ◽  
Outer Tube ◽  
Boron Nitride Nanotube ◽  
First Principles Study

First-principles studies on electronic structures, transverse polarizability, and shielding of two coaxial hybrid double-walled nanotubes consisting of carbon nanotube (CNT) and boron nitride nanotube (BNNT), namely CNT@BNNT and BNNT@CNT, are conducted. The interaction between inner and outer tubes is considerably weak. The polarizability of single-walled CNT is larger than that of single-walled BNNT due to the different electronic properties. In BNNT@CNT, the outer CNT with delocalized π-electrons character demonstrates a nearly complete shielding with the order of 90% of the inner BNNT from the transverse external electric field, while the outer BNNT has a relative small shielding of about 40% for the inner CNT in CNT@BNNT system. Moreover, the shielding of the outer tube can be appreciably enhanced by increasing the intertube separation.

scholarly journals Electrical tuning of spin current in a boron nitride nanotube quantum dot

2014 ◽  
Vol 16 (17) ◽  
pp. 7996-8002 ◽  
Author(s):  
Kamal B. Dhungana ◽  
Ranjit Pati
Keyword(s):  
Boron Nitride ◽  
Quantum Dot ◽  
Electric Field ◽  
Exchange Coupling ◽  
Spin Injection ◽  
Spin Current ◽  
Boron Nitride Nanotube ◽  
Magnetic Exchange ◽  
Ferromagnetic Electrodes ◽  
Magnetic Exchange Coupling

Controlling spin current and magnetic exchange coupling by applying an electric field and achieving high spin injection efficiency at the same time in a nanostructure coupled to ferromagnetic electrodes have been the outstanding challenges in nanoscale spintronics.

scholarly journals The effect of electric field on interaction of glycine with (6,0) single-walled boron nitride nanotube

2013 ◽  
Vol 78 (1) ◽  
pp. 75-83 ◽  
Author(s):  
Davood Farmanzadeh ◽  
Samereh Ghazanfary
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
External Electric Field ◽  
Boron Nitride Nanotube ◽  
Presence And Absence ◽  
Glycine Molecule

The interaction between glycine molecule with (6, 0) zigzag model of single-walled boron nitride nanotube (BNNT) with H-terminated at the open ended, has been investigated in the presence and absence of the external electric field (EF), using the DFT-B3LYP/6-31G

Density Functional Theory Study of Antioxidant Adsorption onto Single- Wall Boron Nitride Nanotubes: Design of New Antioxidant Delivery Systems

2019 ◽  
Vol 22 (7) ◽  
pp. 470-482
Author(s):  
Samereh Ghazanfary ◽  
Fatemeh Oroojalian ◽  
Rezvan Yazdian-Robati ◽  
Mehdi Dadmehr ◽  
Amirhossein Sahebkar
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Vitamin C ◽  
Electric Field ◽  
External Electric Field ◽  
Lipoic Acid ◽  
Density Functional ◽  
Cell Interaction ◽  
Boron Nitride Nanotubes ◽  
Functional Theory

Background: Boron Nitride Nanotubes (BNNTs) have recently emerged as an interesting field of study, because they could be used for the realization of developed, integrated and compact nanostructures to be formulated. BNNTs with similar surface morphology, alternating B and N atoms completely substitute for C atoms in a graphitic-like sheet with nearly no alterations in atomic spacing, with uniformity in dispersion in the solution, and readily applicable in biomedical applications with no obvious toxicity. Also demonstrating a good cell interaction and cell targeting. Aim and Objective: With a purpose of increasing the field of BNNT for drug delivery, a theoretical investigation of the interaction of Melatonin, Vitamin C, Glutathione and lipoic acid antioxidants using (9, 0) zigzag BNNTs is shown using density functional theory. Methods: The geometries corresponding to Melatonin, Vitamin C, Glutathione and lipoic acid and BNNT with different lengths were individually optimized with the DMOL3 program at the LDA/ DNP (fine) level of theory. Results: In the presence of external electric field Melatonin, Vitamin C, Glutathione and lipoic acid could be absorbed considerably on BNNT with lengths 22 and 29 Å, as the adsorption energy values in the presence of external electric field are considerably increased. Conclusion: The external electric field is an appropriate technique for adsorbing and storing antioxidants on BNNTs. Moreover, it is believed that applying the external electric field may be a proper method for controlling release rate of drugs.

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