Field Emission of Gallium-Doped Carbon Nanotubes

2012 ◽  
Vol 535-537 ◽  
pp. 61-66
Author(s):  
Hao He ◽  
Chao Yuan ◽  
Er Jun Liang ◽  
Shun Fang Li
Keyword(s):  
Binding Energy ◽  
Field Emission ◽  
First Principles ◽  
Local Density ◽  
Emission Property ◽  
Field Emission Property ◽  
First Principles Calculations ◽  
Local Density Of States ◽  
Ga Doping ◽  
Co Doped

Field emission property of Ga-doped carbon nanotube (CNT) film has been studied and compared with those of un-doped, N-doped as well as B and N co-doped CNT films. It is found that the Ga-doped CNT film exhibits superior field emission property to the other films. The turn-on field for Ga-doped CNT film is well below 1.0 V/μm, lower than those for un-doped (2.22 V/μm), N-doped (1.1 V/μm), B and N co-doped (4.4 V/μm) CNT films. Its current density reaches 5000 μA/cm2at 2.6 V/μm which is well above those for un-doped (1400 μA/cm2), N-doped (3000 μA/cm2) as well as B and N co-doped (2) CNT films at applied electric field of 5.7 V/μm. First principles calculations were carried out to obtain the binding energy and electronic nature altering of a CNT by Ga doping. It is shown that Ga-doped CNT (8,0) alters from semiconductor to intrinsic metal and a binding energy of 2.7527 eV is obtained. The field emission property can not simply be explained by the defect concentration, but can be understood by significant altering in the local density of states near the Fermi level introduced by dopants.

scholarly journals Strain and screening effects on field emission properties of armchair graphene nanoribbon arrays: a first-principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (40) ◽  
pp. 22625-22634 ◽  
Author(s):  
Han Hu ◽  
Siow Mean Loh ◽  
Tsan-Chuen Leung ◽  
Ming-Chieh Lin
Keyword(s):  
Field Emission ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Local Density ◽  
First Principles Calculations ◽  
Emission Properties ◽  
Field Emission Properties ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene Nanoribbon ◽  
Armchair Graphene

The field screening effect on the field-emission properties of armchair graphene nanoribbons (AGNRs) under strain has been studied using first-principles calculations with local density approximation (LDA).

Adosorption of H2O on the Inside Surface of B-N Co-Doped Carbon Nanotube

2011 ◽  
Vol 480-481 ◽  
pp. 132-136 ◽  
Author(s):  
Jian Wei Wei ◽  
Hui Zeng ◽  
Li Chun Pu ◽  
Nan Hu
Keyword(s):  
Carbon Nanotube ◽  
First Principles ◽  
Electronic Structures ◽  
Local Density ◽  
Inside Surface ◽  
Water Molecules ◽  
Local Density Of States ◽  
Adsorption Of Water ◽  
Co Doped ◽  
Slight Deformation

In this paper, we have investigated the geometries and electronic structures of B-N co-doped carbon nanotube with inside adsorption of water molecules. The charge distributions, band structures and local density of states are calculated by using the first-principles theory in detail. The results show that the water molecules can adsorb stably on the inside surface of the doped nanotube with slight deformation. The π and π* subbands shift upward depending on the sites of the adoptions. The investigations will be beneficial to the biological application of B-N co-doped nanotube.

Growth and field-emission property of tungsten oxide nanotip arrays

2005 ◽  
Vol 87 (22) ◽  
pp. 223108 ◽  
Author(s):  
Jun Zhou ◽  
Li Gong ◽  
Shao Zhi Deng ◽  
Jun Chen ◽  
Jun Cong She ◽  
...  
Keyword(s):  
Tungsten Oxide ◽  
Field Emission ◽  
Emission Property ◽  
Field Emission Property

Structural, elastic and thermodynamic properties of A15-type compounds V3X (X = Ir, Pt and Au) from first-principles calculations

2016 ◽  
Vol 30 (35) ◽  
pp. 1650414 ◽  
Author(s):  
Mingliang Wang ◽  
Zhe Chen ◽  
Dong Chen ◽  
Cunjuan Xia ◽  
Yi Wu
Keyword(s):  
Thermodynamic Properties ◽  
Debye Temperature ◽  
First Principles ◽  
Density Functional ◽  
Coefficient Of Thermal Expansion ◽  
Local Density ◽  
Debye Model ◽  
First Principles Calculations ◽  
Generalized Gradient ◽  
Experimental Values

The structural, elastic and thermodynamic properties of the A15 structure V3Ir, V3Pt and V3Au were studied using first-principles calculations based on the density functional theory (DFT) within generalized gradient approximation (GGA) and local density approximation (LDA) methods. The results have shown that both GGA and LDA methods can process the structural optimization in good agreement with the available experimental parameters in the compounds. Furthermore, the elastic properties and Debye temperatures estimated by LDA method are typically larger than the GGA methods. However, the GGA methods can make better prediction with the experimental values of Debye temperature in V3Ir, V3Pt and V3Au, signifying the precision of the calculating work. Based on the E–V data derived from the GGA method, the variations of the Debye temperature, coefficient of thermal expansion and heat capacity under pressure ranging from 0 GPa to 50 GPa and at temperature ranging from 0 K to 1500 K were obtained and analyzed for all compounds using the quasi-harmonic Debye model.

Structural characterization of Co-doped Pd (n=1–12) clusters: First-principles calculations

2019 ◽  
Vol 715 ◽  
pp. 141-146 ◽  
Author(s):  
P.L. Rodríguez-Kessler ◽  
P. Navarro-Santos ◽  
A.R. Rodríguez-Domínguez
Keyword(s):  
Structural Characterization ◽  
First Principles ◽  
First Principles Calculations ◽  
Co Doped

scholarly journals Co-doped rutile TiO2-δthin films studied by XANES and first principles calculations

2009 ◽  
Vol 190 ◽  
pp. 012107 ◽  
Author(s):  
Qinghua Liu ◽  
Yong Jiang ◽  
Wensheng Yan ◽  
Zhihu Sun ◽  
Zhiyun Pan ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
Co Doped

scholarly journals Ultrathin single-crystal ZnO nanobelts: Ag-catalyzed growth and field emission property

2010 ◽  
Vol 21 (25) ◽  
pp. 255701 ◽  
Author(s):  
G Z Xing ◽  
X S Fang ◽  
Z Zhang ◽  
D D Wang ◽  
X Huang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Field Emission ◽  
Emission Property ◽  
Field Emission Property

First-Principles Investigation on Elastic Constants of TiN under High Pressure

2013 ◽  
Vol 802 ◽  
pp. 109-113
Author(s):  
Kittiya Prasert ◽  
Pitiporn Thanomngam ◽  
Kanoknan Sarasamak
Keyword(s):  
Elastic Constants ◽  
First Principles ◽  
Local Density ◽  
Ambient Pressure ◽  
Lattice Parameter ◽  
First Principles Calculations ◽  
Generalized Gradient ◽  
Generalized Gradient Approximation ◽  
Shear Distortion ◽  
Calculated Lattice Parameter

Elastic constants of NaCl-type TiN under pressure were investigated by first-principles calculations within both local density approximation (LDA) and Perdew-Burke-Ernzerhof generalized-gradient approximation (PBE-GGA). At ambient pressure, the calculated lattice parameter, bulk modulus, and elastic constants of NaCl-type TiN are in well agreement with other available values. Under pressure, all elastic constants,C11,C12, andC44, are found to increase with pressure.C11, which is related to the longitudinal distortion, increases rapidly with pressure whileC12andC44which are related to the transverse and shear distortion, respectively, are much less sensitive to pressure.

Sign in / Sign up

Export Citation Format

Share Document