Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study

Edward N. Brothers; Konstantin N. Kudin; Gustavo E. Scuseria; Charles W. Bauschlicher

doi:10.1103/physrevb.72.033402

Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study

Physical Review B ◽

10.1103/physrevb.72.033402 ◽

2005 ◽

Vol 72 (3) ◽

Cited By ~ 30

Author(s):

Edward N. Brothers ◽

Konstantin N. Kudin ◽

Gustavo E. Scuseria ◽

Charles W. Bauschlicher

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hartree Fock

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A Density Functional Study on Transition-Metal-Coated Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry C ◽

10.1021/jp7108253 ◽

2008 ◽

Vol 112 (25) ◽

pp. 9128-9132 ◽

Cited By ~ 15

Author(s):

Guo Wang ◽

Yuanhe Huang

Keyword(s):

Carbon Nanotubes ◽

Transition Metal ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Density functional study of Al/N co-doped (10,0) zigzag single-walled carbon nanotubes as CO sensor

Computational Materials Science ◽

10.1016/j.commatsci.2013.10.021 ◽

2014 ◽

Vol 82 ◽

pp. 497-502 ◽

Cited By ~ 17

Author(s):

Masood Hamadanian ◽

Forough Kalantari Fotooh

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Co Sensor ◽

Walled Carbon Nanotubes ◽

Co Doped

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Defects Energetics and Electronic Properties of Li Doped ZnO: A Hybrid Hartree-Fock and Density Functional Study

Chinese Journal of Chemical Physics ◽

10.1088/1674-0068/25/03/261-268 ◽

2012 ◽

Vol 25 (3) ◽

pp. 261-268 ◽

Cited By ~ 3

Author(s):

Xu Sun ◽

You-song Gu ◽

Xue-qiang Wang ◽

Yue Zhang

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hartree Fock ◽

Doped Zno

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Field emission current from single walled carbon nanotubes with adsorbates and defects for several chiralities: A density functional study

2014 IEEE 41st International Conference on Plasma Sciences (ICOPS) held with 2014 IEEE International Conference on High-Power Particle Beams (BEAMS) ◽

10.1109/plasma.2014.7012562 ◽

2014 ◽

Author(s):

Timothy P. Fleming

Keyword(s):

Carbon Nanotubes ◽

Field Emission ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Emission Current ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Field Emission Current ◽

Walled Carbon Nanotubes

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Dynamic core hole screening in small-diameter conducting carbon nanotubes: A cluster density functional study

Thin Solid Films ◽

10.1016/j.tsf.2013.02.137 ◽

2013 ◽

Vol 543 ◽

pp. 41-47 ◽

Cited By ~ 1

Author(s):

A. Sindona ◽

F. Naccarato ◽

M. Pisarra ◽

P. Riccardi ◽

G. Falcone

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Small Diameter ◽

Functional Study ◽

Core Hole ◽

Density Functional Study ◽

Cluster Density

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Stacking- and chirality-dependent collapse of single-walled carbon nanotubes: A large-scale density-functional study

Physical Review B ◽

10.1103/physrevb.100.115410 ◽

2019 ◽

Vol 100 (11) ◽

Cited By ~ 3

Author(s):

A. Impellizzeri ◽

P. Briddon ◽

C. P. Ewels

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Large Scale ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Carbon species confined inside carbon nanotubes: A density functional study

Physical Review B ◽

10.1103/physrevb.68.125413 ◽

2003 ◽

Vol 68 (12) ◽

Cited By ~ 67

Author(s):

Yi Liu ◽

R. O. Jones ◽

Xinluo Zhao ◽

Yoshinori Ando

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Carbon Species

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Structure, Energetics, and Force Fields of the Cyclic Formamide Dimer: MP2, Hartree-Fock, and Density Functional Study

The Journal of Physical Chemistry ◽

10.1021/j100016a026 ◽

1995 ◽

Vol 99 (16) ◽

pp. 5899-5908 ◽

Cited By ~ 46

Author(s):

Jan Florian ◽

Benny G. Johnson

Keyword(s):

Density Functional ◽

Force Fields ◽

Functional Study ◽

Density Functional Study ◽

Hartree Fock

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Interaction between zigzag single-wall carbon nanotubes and polymers: A density-functional study

The Journal of Chemical Physics ◽

10.1063/1.1925272 ◽

2005 ◽

Vol 122 (21) ◽

pp. 214710 ◽

Cited By ~ 17

Author(s):

Mirko Simeoni ◽

Cinzia De Luca ◽

Silvia Picozzi ◽

Sandro Santucci ◽

Bernard Delley

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Functional Study ◽

Single Wall Carbon Nanotubes ◽

Density Functional Study ◽

Single Wall Carbon

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Density Functional Study of the13C NMR Chemical Shifts in Small-to-Medium-Diameter Infinite Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry A ◽

10.1021/jp064540f ◽

2006 ◽

Vol 110 (43) ◽

pp. 11995-12004 ◽

Cited By ~ 57

Author(s):

Eva Zurek ◽

Chris J. Pickard ◽

Brian Walczak ◽

Jochen Autschbach

Keyword(s):

Carbon Nanotubes ◽

Density Functional ◽

Chemical Shifts ◽

Single Walled Carbon Nanotubes ◽

Functional Study ◽

Density Functional Study ◽

Nmr Chemical Shifts ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Medium Diameter

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