scholarly journals Special electronic structures and quantum conduction of B/P co-doping carbon nanotubes under electric field using the first principle

2010 ◽  
Vol 13 (6) ◽  
pp. 2275-2283 ◽  
Author(s):  
AQing Chen ◽  
QingYi Shao ◽  
Zhen Li
Keyword(s):  
Carbon Nanotubes ◽  
Electric Field ◽  
Electronic Structures ◽  
First Principle ◽  
Co Doping

scholarly journals Tuning Electronic Structures of BN and C Double-Wall Hetero-Nanotubes

2015 ◽  
Vol 2015 ◽  
pp. 1-9 ◽  
Author(s):  
Xueran Liu ◽  
Meijun Han ◽  
Xinjiang Zhang ◽  
Haijun Hou ◽  
Shaoping Pang ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Electronic Structures ◽  
Density Functional ◽  
Transverse Electric ◽  
First Principle ◽  
Generalized Gradient ◽  
Functional Theory ◽  
Generalized Gradient Approximation ◽  
Double Wall

First principle calculations based on density functional theory with the generalized gradient approximation were carried out to investigate the energetic and electronic properties of carbon and boron nitride double-wall hetero-nanotubes (C/BN-DWHNTs) with different chirality and size, including an armchair (n,n) carbon nanotube (CNT) enclosed in (m,m) boron nitride nanotube (BNNT) and a zigzag (n, 0) CNT enclosed in (m, 0) BNNT. The electronic structure of these DWHNTs under a transverse electric field was also investigated. The ability to tune the band gap with changing the intertube distance (di) and imposing an external electric field (F) of zigzag DWHNTs provides the possibility for future electronic and electrooptic nanodevice applications.

Effects of (C, N, S, P)/V co-doping on the electronic structures of InNbO4from first principle calculations

2018 ◽  
Vol 5 (2) ◽  
pp. 025515 ◽  
Author(s):  
Mengfei Lu ◽  
Qiaoqiao Li ◽  
Changping Zhou ◽  
Chengliang Zhang ◽  
Haifeng Shi
Keyword(s):  
Electronic Structures ◽  
First Principle ◽  
Co Doping ◽  
First Principle Calculations

Electronic structures of carbon nanotubes with monovacancy under an electric field

2014 ◽  
Vol 53 (11) ◽  
pp. 115102 ◽  
Author(s):  
U Ishiyama ◽  
Nguyen Thanh Cuong ◽  
Susumu Okada
Keyword(s):  
Carbon Nanotubes ◽  
Electric Field ◽  
Electronic Structures

Effect of electric field on the electronic structures of carbon nanotubes

2001 ◽  
Vol 79 (8) ◽  
pp. 1187-1189 ◽  
Author(s):  
Changwook Kim ◽  
Bongsoo Kim ◽  
Seung Mi Lee ◽  
Chulsu Jo ◽  
Young Hee Lee
Keyword(s):  
Carbon Nanotubes ◽  
Electric Field ◽  
Electronic Structures

Boron/nitrogen pairs Co-doping in metallic carbon nanotubes: a first-principle study

2011 ◽  
Vol 20 (2) ◽  
pp. 027102 ◽  
Author(s):  
Fang-Ping Ouyang ◽  
Sheng-Lin Peng ◽  
Ling-Na Chen ◽  
Shu-Yuan Sun ◽  
Hui Xu
Keyword(s):  
Carbon Nanotubes ◽  
First Principle ◽  
Co Doping ◽  
Boron Nitrogen

Synergistic effects of nonmetal co-doping with sulfur in anatase TiO2: a DFT + U study

2015 ◽  
Vol 17 (5) ◽  
pp. 3426-3434 ◽  
Author(s):  
Qing-Lu Liu ◽  
Zong-Yan Zhao ◽  
Qing-Ju Liu
Keyword(s):  
Electric Field ◽  
Synergistic Effects ◽  
Anatase Tio2 ◽  
Local Electric Field ◽  
Energy Bands ◽  
Deep Impurity ◽  
Co Doping

S + NM co-doping could induce a stronger local electric field and eliminate the deep impurity energy bands of S mono-doped TiO2.

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