Highly Tunable Electronic Structures of Phosphorene/Carbon Nanotube Heterostructures through External Electric Field and Atomic Intercalation

Nano Letters ◽  
2017 ◽  
Vol 17 (12) ◽  
pp. 7995-8004 ◽  
Author(s):  
Xiao-Qing Tian ◽  
Xiang-Rong Wang ◽  
Ya-Dong Wei ◽  
Lin Liu ◽  
Zhi-Rui Gong ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Electric Field ◽  
External Electric Field ◽  
Electronic Structures

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 Electronic Structures and Induced-Hole Carriers of Covalent Semiconductors in External Electric Field

2014 ◽  
Vol 12 (0) ◽  
pp. 109-111 ◽  
Author(s):  
Aiichiro Sugiyama ◽  
Kohji Nakamura ◽  
Kazuhiro Sano ◽  
Toru Akiyama ◽  
Tomonori Ito
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Electronic Structures

scholarly journals Acoustoelectric Effect in Fluorinated Carbon Nanotube in the Absence of External Electric Field

2020 ◽  
Vol 10 (01) ◽  
pp. 1-11 ◽  
Author(s):  
D. Sakyi-Arthur ◽  
S. Y. Mensah ◽  
K. W. Adu ◽  
K. A. Dompreh ◽  
R. Edziah ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Electric Field ◽  
External Electric Field ◽  
Acoustoelectric Effect ◽  
Fluorinated Carbon

scholarly journals The transport of a charged peptide through carbon nanotubes under an external electric field: a molecular dynamics simulation

RSC Advances ◽  
2021 ◽  
Vol 11 (38) ◽  
pp. 23589-23596
Author(s):  
Wen Li ◽  
Shun Cheng ◽  
Bin Wang ◽  
Zheng Mao ◽  
Jianhua Zhang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
External Electric Field ◽  
Dynamics Simulation

The role of electric field and types of carbon nanotube influencing the delivery process of peptide through CNTs were studied via all-atom molecular dynamics simulation.

scholarly journals Computational Investigation of Interaction of Titanocene Dichloride Anti-Cancer Drug with Carbon Nanotube in the Presence of External Electric Field

2021 ◽  
Vol 11 (4) ◽  
pp. 12454-12461
Keyword(s):  
Dipole Moment ◽  
Carbon Nanotube ◽  
Electric Field ◽  
Interaction Energy ◽  
External Electric Field ◽  
Titanocene Dichloride ◽  
Cancer Drug ◽  
Electric Field Effects ◽  
Linear Relationships ◽  
Anti Cancer

In this work, the interaction between titanocene dichloride, an anticancer drug, and carbon nanotube was studied at the B3LYP-D3/6-311G(d,p) level of theory. The external electric field effects on the total energy, dipole moment, electronic spatial extent (ESE), and the HOMO-LUMO gap of the Cp2TiCl2…nanotube molecule were studied. Also, the interaction energy values of the titanocene dichloride with carbon nanotube were calculated. We found good linear relationships between interaction energy, dipole moment, and ESE with external electric field strength.

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