Tuning Electronic Structures of ZnO Nanowires by Surface Functionalization: A First-Principles Study

Shu-Ping Huang; Hu Xu; I. Bello; R. Q. Zhang

doi:10.1021/jp102388g

Tuning Electronic Structures of ZnO Nanowires by Surface Functionalization: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp102388g ◽

2010 ◽

Vol 114 (19) ◽

pp. 8861-8866 ◽

Cited By ~ 31

Author(s):

Shu-Ping Huang ◽

Hu Xu ◽

I. Bello ◽

R. Q. Zhang

Keyword(s):

Surface Functionalization ◽

First Principles ◽

Electronic Structures ◽

Zno Nanowires ◽

First Principles Study

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Size effects on formation energies and electronic structures of oxygen and zinc vacancies in ZnO nanowires: A first-principles study

Journal of Applied Physics ◽

10.1063/1.3549131 ◽

2011 ◽

Vol 109 (4) ◽

pp. 044306-044306-5 ◽

Cited By ~ 14

Author(s):

D. Q. Fang ◽

R. Q. Zhang

Keyword(s):

First Principles ◽

Size Effects ◽

Electronic Structures ◽

Zno Nanowires ◽

First Principles Study ◽

Formation Energies

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Atomic and electronic structures of ZnO nanowires and nanotubes: A first principles study

2016 24th Iranian Conference on Electrical Engineering (ICEE) ◽

10.1109/iraniancee.2016.7585663 ◽

2016 ◽

Cited By ~ 1

Author(s):

Ehsan Mohammadi ◽

Ahmad Ghannadanzadeh ◽

Ebrahim Nadimi ◽

Farhad Akbari Boroumand

Keyword(s):

First Principles ◽

Electronic Structures ◽

Zno Nanowires ◽

First Principles Study

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The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2021.138549 ◽

2021 ◽

Vol 721 ◽

pp. 138549

Author(s):

Yan Zhang ◽

Hua-Xin Chen ◽

Li Duan ◽

Ji-Bin Fan

Keyword(s):

Thermal Properties ◽

Dielectric Permittivity ◽

Elastic Constants ◽

First Principles ◽

Electronic Structures ◽

Zirconium Dioxide ◽

Optical Response ◽

First Principles Study ◽

Phonon Spectra

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Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽

10.1039/d0ra09238j ◽

2021 ◽

Vol 11 (5) ◽

pp. 3058-3070

Author(s):

Yu Zhou ◽

Lan-Ting Shi ◽

A-Kun Liang ◽

Zhao-Yi Zeng ◽

Xiang-Rong Chen ◽

...

Keyword(s):

Phase Transition ◽

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Electronic Structures ◽

Pressure Range ◽

Mechanical Stability ◽

First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2021.167764 ◽

2021 ◽

Vol 527 ◽

pp. 167764

Author(s):

Xiang Lin ◽

Zhuo Mao ◽

Shengjie Dong ◽

Xiaodong Jian ◽

Rong Han ◽

...

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/28/cjcp1503038 ◽

2015 ◽

Vol 28 (6) ◽

pp. 681-687 ◽

Cited By ~ 1

Author(s):

Ping Huang ◽

Bo Shang ◽

Ling-jie Li ◽

Jing-lei Lei

Keyword(s):

First Principles ◽

Electronic Structures ◽

Anatase Tio2 ◽

Photocatalytic Properties ◽

La Doping ◽

First Principles Study ◽

Doping Effects

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First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

Superlattices and Microstructures ◽

10.1016/j.spmi.2010.11.006 ◽

2011 ◽

Vol 49 (1) ◽

pp. 81-90 ◽

Cited By ~ 7

Author(s):

Wei-Feng Sun ◽

Mei-Cheng Li ◽

Lian-Cheng Zhao

Keyword(s):

First Principles ◽

Electronic Structures ◽

Relaxation Effect ◽

First Principles Study

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First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

e-Journal of Surface Science and Nanotechnology ◽

10.1380/ejssnt.2004.146 ◽

2004 ◽

Vol 2 ◽

pp. 146-150 ◽

Cited By ~ 8

Author(s):

Takuya Kadohira ◽

Jun Nakamura ◽

Satoshi Watanabe

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Study

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First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

Materials Science and Engineering B ◽

10.1016/j.mseb.2018.12.006 ◽

2018 ◽

Vol 238-239 ◽

pp. 50-60 ◽

Cited By ~ 2

Author(s):

M. Hassan ◽

N. Akhtar ◽

Q. Mahmood ◽

A. Laref

Keyword(s):

First Principles ◽

Electronic Structures ◽

Thermoelectric Device ◽

First Principles Study ◽

Device Applications

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First-principles study on the electronic structures of spin-Peierls compound GeCuO3

Acta Physica Sinica ◽

10.7498/aps.57.2368 ◽

2008 ◽

Vol 57 (4) ◽

pp. 2368

Author(s):

Ming Xing ◽

Fan Hou-Gang ◽

Hu Fang ◽

Wang Chun-Zhong ◽

Meng Xing ◽

...

Keyword(s):

First Principles ◽

Electronic Structures ◽

First Principles Study

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Tuning Electronic Structures of ZnO Nanowires by Surface Functionalization: A First-Principles Study

Size effects on formation energies and electronic structures of oxygen and zinc vacancies in ZnO nanowires: A first-principles study

Atomic and electronic structures of ZnO nanowires and nanotubes: A first principles study

The electronic structures, elastic constants, dielectric permittivity, phonon spectra, thermal properties and optical response of monolayer zirconium dioxide: A first-principles study

Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

First-principles study on the electronic structures and magnetic properties of TM-doped (TM = V, Cr, Mn, and Fe) tetragonal ScN monolayer

First-Principles Study of La Doping Effects on the Electronic Structures and Photocatalytic Properties of Anatase TiO2

First-principles study of interface relaxation effect on interface and electronic structures of InAs/GaSb superlattices with different interface types

First-principles study on the atomic and electronic structures of the Au/Si(111)-α(√3 × √3)R30° surface

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications

First-principles study on the electronic structures of spin-Peierls compound GeCuO3

First principles study of electronic structures of Cd0.9375Co0.0625X (X = S, Se, Te) for magnetic, optical and thermoelectric device applications