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Journal Articles

13th International Conference of the Chinese Society of Micro and Nanotechnology

Wenhui Duan
Journal: AIP Advances
AIP Advances 13, 030401 (2023)
https://doi.org/10.1063/5.0147926
Published: March 2023
View article titled, 13th International Conference of the Chinese Society of Micro and Nanotechnology
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Journal Articles

Accuracy trade-off between one-electron and excitonic spectra of cuprous halides in first-principles calculations

Yujing Wu, Zeyu Jiang, Hengxin Tan, Yuanchang Li, Wenhui Duan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 134704 (2021)
https://doi.org/10.1063/5.0043999
Published: April 2021
View article titled, Accuracy trade-off between one-electron and excitonic spectra of cuprous halides in first-principles calculations
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Journal Articles

Topological semimetals from the perspective of first-principles calculations

Jiaheng Li, Zetao Zhang, Chong Wang, Huaqing Huang, Bing-Lin Gu, Wenhui Duan
Journal: Journal of Applied Physics
J. Appl. Phys. 128, 191101 (2020)
https://doi.org/10.1063/5.0025396
Published: November 2020
View article titled, Topological semimetals from the perspective of first-principles calculations
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Journal Articles

Understanding the origin of bandgap problem in transition and post-transition metal oxides

Hengxin Tan, Haitao Liu, Yuanchang Li, Wenhui Duan, Shengbai Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 124703 (2019)
https://doi.org/10.1063/1.5111188
Published: September 2019
View article titled, Understanding the origin of bandgap problem in transition and post-transition metal oxides
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Journal Articles

Thermal transport along Bi2Te3 topological insulator nanowires

ChenXi Yu, Gang Zhang, Lian-Mao Peng, Wenhui Duan, Yong-Wei Zhang
Journal: Applied Physics Letters
Appl. Phys. Lett. 105, 023903 (2014)
https://doi.org/10.1063/1.4890846
Published: July 2014
View article titled, Thermal transport along Bi<sub>2</sub>Te<sub>3</sub> topological insulator nanowires
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Journal Articles

Tunable anisotropic thermal conduction in graphane nanoribbons

Dengfeng Li, Yong Xu, Xiaobin Chen, Bolin Li, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 104, 143108 (2014)
https://doi.org/10.1063/1.4870973
Published: April 2014
View article titled, Tunable anisotropic thermal conduction in graphane nanoribbons
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Journal Articles

Sulfur immobilization and lithium storage on defective graphene: A first-principles study

Wen Zhao, Pengcheng Chen, Peizhe Tang, Yuanchang Li, Jian Wu, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 104, 043901 (2014)
https://doi.org/10.1063/1.4862983
Published: January 2014
View article titled, Sulfur immobilization and lithium storage on defective graphene: A first-principles study
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Journal Articles

Identifying Dirac cones in carbon allotropes with square symmetry

Jinying Wang, Huaqing Huang, Wenhui Duan, Zhirong Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 184701 (2013)
https://doi.org/10.1063/1.4828861
Published: November 2013
View article titled, Identifying Dirac cones in carbon allotropes with square symmetry
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Includes: Supplementary data
Journal Articles

Elastic properties of tetragonal BiFeO3 from first-principles calculations

Huafeng Dong, Changqing Chen, Shanying Wang, Wenhui Duan, Jingbo Li
Journal: Applied Physics Letters
Appl. Phys. Lett. 102, 182905 (2013)
https://doi.org/10.1063/1.4804641
Published: May 2013
View article titled, Elastic properties of tetragonal BiFeO<sub>3</sub> from first-principles calculations
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Includes: Supplementary data
Journal Articles

Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial compression or biaxial tension

Huafeng Dong, Zhigang Wu, Shanying Wang, Wenhui Duan, Jingbo Li
Journal: Applied Physics Letters
Appl. Phys. Lett. 102, 072905 (2013)
https://doi.org/10.1063/1.4793397
Published: February 2013
View article titled, Improving the optical absorption of BiFeO<sub>3</sub> for photovoltaic applications via uniaxial compression or biaxial tension
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Includes: Supplementary data
Journal Articles

High-resolution x-ray absorption studies of core excitons in hexagonal boron nitride

Lu Hua Li, Mladen Petravic, Bruce C. C. Cowie, Tan Xing, Robert Peter, Ying Chen, Chen Si, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 101, 191604 (2012)
https://doi.org/10.1063/1.4767135
Published: November 2012
View article titled, High-resolution x-ray absorption studies of core excitons in hexagonal boron nitride
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Journal Articles

First-principles study of hydrogenated carbon nanotubes: A promising route for bilayer graphene nanoribbons

Pengcheng Chen, Yuanchang Li, Chen Si, Jian Wu, Jisoon Ihm, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 101, 033105 (2012)
https://doi.org/10.1063/1.4737427
Published: July 2012
View article titled, First-principles study of hydrogenated carbon nanotubes: A promising route for bilayer graphene nanoribbons
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Journal Articles

Design of strain-engineered quantum tunneling devices for topological surface states

L. Zhao, Junwei Liu, Peizhe Tang, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 100, 131602 (2012)
https://doi.org/10.1063/1.3699023
Published: March 2012
View article titled, Design of strain-engineered quantum tunneling devices for topological surface states
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Journal Articles

Interface engineering of epitaxial graphene on SiC( 000 1 ¯ ) via fluorine intercalation: A first principles study

Chen Si, Gang Zhou, Yuanchang Li, Jian Wu, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 100, 103105 (2012)
https://doi.org/10.1063/1.3692586
Published: March 2012
View article titled, Interface engineering of epitaxial graphene on SiC( 000 1 ¯ ) via fluorine intercalation: A first principles study
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Journal Articles

Enhancement of thermoelectric properties in graphene nanoribbons modulated with stub structures

Zhong-Xiang Xie, Li-Ming Tang, Chang-Ning Pan, Ke-Min Li, Ke-Qiu Chen, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 100, 073105 (2012)
https://doi.org/10.1063/1.3685694
Published: February 2012
View article titled, Enhancement of thermoelectric properties in graphene nanoribbons modulated with stub structures
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Journal Articles

Electronic and magnetic properties of early transition-metal substituted iron-cyclopentadienyl sandwich molecular wires: Parity-dependent half-metallicity

Yuanchang Li, Gang Zhou, Jian Wu, Wenhui Duan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 135, 014702 (2011)
https://doi.org/10.1063/1.3604817
Published: July 2011
View article titled, Electronic and magnetic properties of early transition-metal substituted iron-cyclopentadienyl sandwich molecular wires: Parity-dependent half-metallicity
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Journal Articles

Effects of hydrostatic pressure on Pb ( Zr 1 − x Ti x ) O 3 near the morphotropic phase boundary

Chaoye Wu, Wenhui Duan, Xiao-Wen Zhang, Zhirong Liu
Journal: Journal of Applied Physics
J. Appl. Phys. 108, 124102 (2010)
https://doi.org/10.1063/1.3520659
Published: December 2010
View article titled, Effects of hydrostatic pressure on Pb ( Zr 1 − x Ti x ) O 3 near the morphotropic phase boundary
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Journal Articles

Orientation-dependent charge carrier confinement in a nanopatterned silicon film

Zheng Liu, Wenhui Duan, Bing-Lin Gu, Jian Wu
Journal: Applied Physics Letters
Appl. Phys. Lett. 97, 092116 (2010)
https://doi.org/10.1063/1.3486227
Published: September 2010
View article titled, Orientation-dependent charge carrier confinement in a nanopatterned silicon film
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Journal Articles

Multiple localized states and magnetic orderings in partially open zigzag carbon nanotube superlattices: An ab initio study

Bing Huang, Zuanyi Li, Young-Woo Son, Gunn Kim, Wenhui Duan, Jisoon Ihm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 084702 (2010)
https://doi.org/10.1063/1.3481484
Published: August 2010
View article titled, Multiple localized states and magnetic orderings in partially open zigzag carbon nanotube superlattices: An <em>ab initio</em> study
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Journal Articles

Intrinsic half-metallic BN–C nanotubes

Bing Huang, Chen Si, Hoonkyung Lee, Lu Zhao, Jian Wu, Bing-Lin Gu, Wenhui Duan
Journal: Applied Physics Letters
Appl. Phys. Lett. 97, 043115 (2010)
https://doi.org/10.1063/1.3474620
Published: July 2010
View article titled, Intrinsic half-metallic BN–C nanotubes
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