Publications 1 Evolution of Ni nanofilaments and electromagnetic coupling in the resistive switching of

NiO Nanoscale 7, 642 (2015) Yuxiang Luo, Diyang Zhao, Yonggang Zhao,* Fu-kuo

Chiang,Pengcheng Chen, Minghua Guo, Nannan Luo, Xingli Jiang, Peixian Miao, Ying Sun,

Aitian Chen, Zhu Lin, Jianqi Li,* Wenhui Duan, Jianwang Cai, and Yayu Wang

2 Nontrivial Z2 Topology in Bismuth-based III-V Compounds Physical Review B 90, 195105

(2014). Huaqing Huang, Jianpeng Liu, and Wenhui Duan*

3 Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator Physical Review

B 90, 121408 (R) (2014). Peizhe Tang, Pengcheng Chen, Wendong Cao, Huaqing Huang,

Seymur Cahangirov, Lede Xian, Yong Xu, Shou-Cheng Zhang, Wenhui Duan*, and Angel

Rubio*

4 Giant room-temperature spin caloritronics in spin-semiconducting graphene nanoribbons

Physical Review B 90, 121403(R) (2014). Xiaobin Chen, Yizhou Liu, Bing-Lin Gu, Wenhui

Duan*, and Feng Liu*

5 High-Rate, ultralong cycle-life Lithium/Sulfur batteries enabled by Nitrogen-doped

Graphene Nano Letters 14, 4821-4827 (2014). Yongcai Qiu, Wanfei Li, Wen Zhao, Guizhu

Li, Yuan Hou, Meinan Liu, Lisha Zhou, Fangmin Ye, Hongfei Li, Zhanhua Wei, Shihe Yang,

Wenhui Duan, Yifan Ye, Jinghua Guo, and Yuegang Zhang*

6 First-principles study of 180° domain walls in BaTiO3: Mixed Bloch-Néel-Ising character

Physical Review B 90, 054106 (2014). Menglei Li, Yijia Gu, Yi Wang, Long-Qing Chen, and

Wenhui Duan*

7 Thermal transport along Bi2Te3 topological insulator nanowires Applied Physics Letters

105, 023903 (2014). Chenxi Yu, Gang Zhang,* Lian-Mao Peng, Wenhui Duan, and Yong-

Wei Zhang

8 Anomalous properties of antiferroelectric PbZrO3 under hydrostatic pressure S.

Prosandeev, Changsong Xu, R. Faye, Wenhui Duan, H. Liu, B. Dkhil, P.-E. Janolin, Jorge

Íñiguez, and L. Bellaiche Physical Review B 89, 214111 (2014).

9 Thermal and Thermoelectric Properties of Graphene Small 10, 2182 (2014). Yong Xu,*

Zuanyi Li,* and Wenhui Duan*

10 Topological crystalline insulator PbxSn1-xTe thin films on SrTiO3 (001) with tunable Fermi

levels APL Materials 2, 056106 (2014). Hua Guo, Chen-Hui Yan, Jun-Wei Liu, Zhen-Yu

Wang, Rui Wu, Zhi-Dong Zhang, Li-Li Wang, Ke He, Xu-Cun Ma, Shuai-Hua Ji, Wenhui

Duan, Xi Chen,* and Qi-Kun Xue*

11 Anomalous properties of hexagonal rare-earth ferrites from first principles Physical

Review B 89, 205122 (2014). Changsong Xu, Yurong Yang, Shanying Wang, Wenhui Duan,

Bing-Lin Gu, and Laurent Bellaiche

12 Experimental Observation of Dirac-like Surface States and Topological Phase Transition in

Pb1-xSnxTe(111) Films Physical Review Letters 112, 186801 (2014) Chenhui Yan, Junwei Liu,

Yunyi Zang, Jianfeng Wang, Zhenyu Wang, Peng Wang, Zhi-Dong Zhang, Lili Wang, Xucun

Ma, Shuaihua Ji, Ke He, Liang Fu, Wenhui Duan, Qi-Kun Xue*, and Xi Chen*

13 Tunable anisotropic thermal conduction in graphane nanoribbons Applied Physics Letters

104, 143108 (2014). Dengfeng Li, Yong Xu*, Xiaobin Chen, Bolin Li, and Wenhui Duan*

14 A general group theoretical method to unfold band structures and its application New

Journal of Physics 16, 033034 (2014). Huaqing Huang, Fawei Zheng, Ping Zhang*, Jian Wu,

Bing-Lin Gu, and Wenhui Duan*

15 Functionalized Germanene as a Prototype of Large-Gap Two-Dimensional Topological

Insulators Physical Review B 89, 115429 (2014). Chen Si, Junwei Liu, Yong Xu, Jian Wu,

Bing-Lin Gu, and Wenhui Duan*

16 Structural stability and topological surface states of SnTe (111) surface Physical Review B

89, 125308 (2014). Jianfeng Wang, Junwei Liu, Yong Xu, Jian Wu, Bing-Lin Gu, and Wenhui

Duan*

17 Manipulating topological phase transition by strain Acta Crystallographica C70, 118

(2014). Junwei Liu, Yong Xu, Jian Wu, Bing-Lin Gu, S. B. Zhang, and Wenhui Duan*

18 Weak topological insulators in PbTe/SnTe superlattices Physical Review B 89, 085312

(2014). Gang Yang, Junwei Liu, Liang Fu, Wenhui Duan*, and Chaoxing Liu*

19 Chemical-potential-dependent gap opening at the dirac surface states of Bi2Se3 induced

by aggregated substitutional Cr atoms Physical Review Letters 112, 056801 (2014) Cui-Zu

Chang, Peizhe Tang, Yi-Lin Wang, Xiao Feng, Kang Li, Zuocheng Zhang, Yayu Wang, Li-Li

Wang, Xi Chen, Chaoxing Liu, Wenhui Duan*, Ke He*, Xu-Cun Ma, and Qi-Kun Xue

20 Microscopic origin of the p-type conductivity of the topological crystalline insulator SnTe

and the effect of Pb alloying Physical Review B 89, 045142 (2014). Na Wang, Damien West,

Junwei Liu, Jia Li, Qimin Yan, Bing-Lin Gu, S. B. Zhang, and Wenhui Duan*

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

Applied Physics Letters 104, 043901 (2014). Wen Zhao, Pengcheng Chen, Peizhe Tang,

Yuanchang Li,* Jian Wu, and Wenhui Duan*

22 Weak topological insulators induced by the interlayer coupling: A first-principles study of

stacked Bi2TeI Physical Review B 89, 041409 (R) (2014). Peizhe Tang, Binghai Yan,*

Wendong Cao, Shu-Chun Wu, Claudia Felser, and Wenhui Duan

23 Spin-filtered edge states with an electrically tunable gap in a two-dimensional topological

crystalline insulator Nature Materials 13, 178 (2014) Junwei Liu, Timothy H. Hsieh, Peng

Wei, Wenhui Duan, Jagadeesh Moodera and Liang Fu*

24 Two types of surface states in topological crystalline insulators Physical Review B 88,

241303(R) (2013). Junwei Liu, Wenhui Duan, and Liang Fu*

25 First-principles calculations on the effect of doping and biaxial tensile strain on electron-

phonon coupling in graphene Physical Review Letters 111, 196802 (2013) Chen Si, Zheng

Liu, Wenhui Duan, and Feng Liu*

26 Interlayer interactions in graphites Scientific Reports 3, 3046 (2013). Xiaobin Chen,

Fuyang Tian, Clas Persson, Wenhui Duan, and Nan-xian Chen*

27 Identifying Dirac cones in carbon allotropes with square symmetry Journal of Chemical

Physics 139, 184701 (2013). Jinying Wang, Huaqing Huang, Wenhui Duan, and Zhirong

Liu*

28 Large-gap quantum spin Hall insulators in tin films Physical Review Letters 111, 136804

(2013) Yong Xu, Binghai Yan, Hai-Jun Zhang,Jing Wang, Gang Xu, Peizhe Tang, Wenhui

Duan, and Shou-Cheng Zhang*

29 Field-Effect Birefringent Spin Lens in Ultrathin Film of Magnetically Doped Topological

Insulators Physical Review Letters 111, 116601 (2013) Lu Zhao, Peizhe Tang, Bing-Lin Gu,

and Wenhui Duan*

30 Electronic structure of silicene on Ag(111): strong hybridization effects Physical Review B

88, 035432 (2013). S. Cahangirov, M. Audiffred, P. Tang, A. Iacomino, Wenhui Duan, G.

Merino, and A. Rubio.

31 Towards Single-layer Uniform Hexagonal Boron Nitride -Graphene Patchworks with Zigzag

Linking Edges Nano Letters 13, 3439 (2013). Yabo Gao, Yanfeng Zhang*, Pengcheng Chen,

Yuanchang Li, Mengxi Liu, Teng Gao, Donglin Ma, Yubin Chen, Zhihai Cheng, Xiaohui Qiu,

Wenhui Duan and Zhongfan Liu*

32 Metallicity retained by covalent functionalization of graphene with phenyl groups

Nanoscale 5, 7537 (2013). Peizhe Tang, Pengcheng Chen, Jian Wu, Feiyu Kang, Jia Li,*

Angel Rubio,* and Wenhui Duan*

33 Topological insulators in transition metal-intercalated graphene: the role of d electrons in

significantly increasing the spin-orbit gap Physical Review B 87, 245127 (2013). Yuanchang

Li, Peizhe Tang, Pengcheng Chen, Jian Wu, Bing-Lin Gu, Ying Fang, S. B. Zhang*, and

Wenhui Duan*

34 Elastic properties of tetragonal BiFeO3 from first-principles calculations Applied Physics

Letters 102, 182905 (2013). Huafeng Dong, Changqing Chen, Shanying Wang, Wenhui

Duan, and Jingbo Li*

35 Tuning thermal conduction via extended defects in graphene Physical Review B 87,

205415 (2013). Huaqing Huang, Yong Xu,* Xiaolong Zou, Jian Wu, and Wenhui Duan*

36 Interfacial thermal conductance of partially unzipped carbon nanotubes: Linear scaling

and exponential decay Physical Review B 87, 085427 (2013). Xiaobin Chen, Yong Xu,*

Xiaolong Zou, Bing-Lin Gu, and Wenhui Duan

37 Topology-driven magnetic quantum phase transition in topological insulators Science

339, 1582 (2013) Jinsong Zhang,* Cui-Zu Chang,* Peizhe Tang,* Zuocheng Zhang, Xiao

Feng, Kang Li, Li-li Wang, Xi Chen, Chaoxing Liu, Wenhui Duan, Ke He,† Qi-Kun Xue, Xucun

Ma, and Yayu Wang†

38 Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial

compression or biaxial tension Applied Physics Letters 102, 072905 (2013). Huafeng

Dong, Zhigang Wu*, Shanying Wang, Wenhui Duan, and Jingbo Li*

39 Photon-assisted thermoelectric properties of noncollinear spin valves Physical Review B

87, 085427 (2013) Xiaobin Chen, Dongping Liu, Wenhui Duan, and Hong Guo

40 The existence/absence of Dirac cones in graphynes New Journal of Physics 15, 023004

(2013) Huaqing Huang, Wenhui Duan and Zhirong Liu*

41 Comment on “Structural and Electronic Properties of T Graphene: A Two-Dimensional

Carbon Allotrope with Tetrarings” Physical Review Letters 110, 029603 (2013). Huaqing

Huang, Yuchang Li, Zhirong Liu, Jian Wu, and Wenhui Duan

42 Electronic Strengthening of Graphene by Charge Doping Physical Review Letters 109,

226802 (2012). Chen Si, Wenhui Duan, Zheng Liu, and Feng Liu*

43 Dirac Fermion in Strongly-Bound Graphene Systems Physical Review Letters 109, 206802

(2012). Yuanchang Li, Pengcheng Chen, Gang Zhou, Jia Li, Jian Wu, Bing-Lin Gu, S. B.

Zhang*, and Wenhui Duan*

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

Applied Physics Letters 101, 191604 (2012) Lu Hua Li, Mladen Petravic, Bruce C. C. Cowie,

Tan Xing, Robert Peter, Ying Chen, Chen Si, and Wenhui Duan

45 Topological Crystalline Insulators in the SnTe Material Class Nature Communications 3,

982 (2012) Timothy H. Hsieh, Hsin Lin, Junwei Liu, Wenhui Duan, Arun Bansil, and Liang

Fu

46 First-principles study of hydrogenated carbon nanotubes: a promising route for bilayer

graphene nanoribbons Applied Physics Letters 101, 033105 (2012) Pengcheng Chen,

Yuanchang Li, Chen Si, Jian Wu, Jisoon Ihm, and Wenhui Duan*

47 Electronic and magnetic properties of boron nitride nanoribbons with topological line

defects RSC Advances 2, 6192 (2012) Peizhe Tang, Xiaolong Zoua, Shanying Wang, Jian

Wu, Haitao Liu and Wenhui Duan*

48 Manipulating stored images with phase imprinting at low light levels Optics Letters 37,

2853 (2012) L. Zhao, Guojian Yang, and Wenhui Duan (highlighted by Nature Photonics

6, 500(2012))

49 Topological and electronic transitions in a Sb(111) nanofilm: The interplay between

quantum confinement and surface effect Physical Review B 85, 201410(R) (2012). Pengfei

Zhang, Zheng Liu, Wenhui Duan, Feng Liu*, and Jian Wu*

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

Applied Physics Letters 100, 131601 (2012) L. Zhao, Junwei Liu, Peizhe Tang, and Wenhui

Duan*

51 Interface engineering of epitaxial graphene on SiC(000-1) via fluorine intercalation: A first

principles study Applied Physics Letters 100, 103105 (2012) Chen Si, Gang Zhou,

Yuanchang Li, Jian Wu, and Wenhui Duan*

52 Structural transition of large lead monoxide clusters Computational And Theoretical

Chemistry 983, 61-64 (2012) Haitao Liu*, Xiaolong Zou, Chenchen Wang, Jun Yan, and

Wenhui Duan

53 Enhancement of thermoelectric properties in graphene nanoribbons modulated with

stub structures Applied Physics Letters 100, 073105 (2012) Zhong-Xiang Xie, Li-Ming Tang,

Chang-Ning Pan, Ke-Min Li, Ke-Qiu Chen*, and Wenhui Duan

54 Role of Ga-doping in iron-gallium alloy clusters Chinese Physics B 21, 027104 (2012)

Peizhe Tang, Haitao Liu; Jie Zhu, Shanying Wang, and Wenhui Duan

55 Robust linear dependence of thermal conductance on radial strain in carbon nanotubes

New Journal of Physics 14, 013053 (2012) Hongqin Zhu, Yong Xu*, Bing-Lin Gu and

Wenhui Duan*

56 Edge Stability of Boron Nitride Nanoribbons and Its Application in Designing Hybrid BNC

Structures Nano Research 5, 62 (2012). Bing Huang, Hoonkyung Lee, Bing-Lin Gu, Feng

Liu, and Wenhui Duan*

57 Lithium Intercalation Induced Decoupling of Epitaxial Graphene on SiC(0001): Electronic

Property and Dynamic Process Journal of Physical Chemistry C 115 (48), 23992 (2011).

Yuanchang Li, Gang Zhou*, Jia Li, Jian Wu, Bing-Lin Gu, and Wenhui Duan*

58 Graphene Oxide as a Sulfur Immobilizer in High Performance Lithium/Sulfur Cells Journal

of the American Chemical Society 133, 18522 (2011). Liwen Ji, Mumin Rao, Haimei Zheng,

Liang Zhang, Yuanchang Li, Wenhui Duan, Jinghua Guo, Elton J. Cairns, and Yuegang

Zhang*

59 Stable Nontrivial Z2 Topology in Ultrathin Bi (111) Films: A First-Principles Study Physical

Review Letters 107, 136805 (2011). Zheng Liu, Chao-Xing Liu, Yong-Shi Wu, Wenhui Duan,

Feng Liu, and Jian Wu

60 Generation of tunable-volume transmission-holographic gratings at low light levels

Physical Review A 84, 033806 (2011). Lu Zhao, Wenhui Duan, and S. F. Yelin

61 Structural defects and electronic properties of the Cu-doped topological insulator Bi2Se3

Physical Review B 84, 075335 (2011). Yi-Lin Wang, Yong Xu, Ye-Ping Jiang, Junwei Liu, Cui-

Zu Chang, Mu Chen, Zhi Li, Can-Li Song, Li-Li Wang, Ke He, Xi Chen, Wenhui Duan, Qi-Kun

Xue*, Xu-Cun Ma*. (Editors' suggestion)

62 Formation, Morphology, and Effect of Complex Defects in Boron Nitride Nanotubes: An

ab initio Calculation The Journal of Physical Chemistry C 115, 12782 (2011). Rui Liu, Jia Li,

Gang Zhou*, Jian Wu, Bing-Lin Gu, and Wenhui Duan*

63 Thermal transport by phonons in zigzag graphene nanoribbons with structural defects

Journal of Physics: Condensed Matter 23, 315302 (2011). Zhong-Xiang Xie, Ke-Qiu Chen*,

and Wenhui Duan

64 Electronic and magnetic properties of early transition-metal substituted iron-

cyclopentadienyl sandwich molecular wires: Parity-dependent half-metallicity The

Journal of Chemical Physics 135, 014702 (2011) Yuanchang Li, Gang Zhou, Jian Wu, and

Wenhui Duan*

65 Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

Physical Chemistry Chemical Physics 13 (26), 12225-12230 (2011). Qing Lin, Xiaolong Zou,

Gang Zhou, Rui Liu, Jian Wu, Jia Li*, and Wenhui Duan*

66 Slow-light-enhanced codirectional couplers with negative index materials Optics Express

19, 10088 (2011). Lu Zhao, and Wenhui Duan

67 Trends in charge transfer and spin alignment of metallocene on graphene Physical Review

B 83, 195443 (2011). Yuanchang Li, Xiaobin Chen, Gang Zhou, Wenhui Duan, Y. Kim, M.

Kim, and J. Ihm*

68 Ab initio Study of Half-Metallicity and Magnetism of Complex Organometallic Molecular

Wires The Journal of Physical Chemistry C 115, 7292–7297 (2011). Yuanchang Li, Gang

Zhou, Jia Li, Jian Wu, Bing-Lin Gu, and Wenhui Duan*

69 All-optical Fresnel lens in coherent media: controlling image with image Optics Express

19, 981 (2011). Lu Zhao, Wenhui Duan, and S. F. Yelin

70 Effects of hydrostatic pressure on Pb(Zr1-xTix)O3 near the morphotropic phase boundary

Journal of Applied Physics 108, 124102 (2010). Chaoye Wu, Wenhui Duan, Xiao-Wen

Zhang, and Zhirong Liu*

71 Optimizing photoelectrochemical properties of TiO2 by chemical codoping Physical

Review B 82, 193103 (2010). Peng Wang, Zhirong Liu, Feng Lin, Gang Zhou, Jian Wu,

Wenhui Duan*, Bing-Lin Gu, and S. B. Zhang*

72 Spontaneous edge-defect formation and defect-induced conductance suppression in

graphene nanoribbons Physical Review B 82, 115410 (2010). Jia Li, Zuanyi Li, Gang Zhou,

Zhirong Liu, Jian Wu, Bing-Lin Gu, Jisoon Ihm, and Wenhui Duan*

73 Orientation-dependent charge carrier confinement in a nanopatterned silicon film

Applied Physics Letters 97, 092116 (2010). Zheng Liu, Wenhui Duan, Bing-Lin Gu, and Jian

Wu*

74 Releasing H2 molecules with a partial pressure difference without the use of temperature

Physical Review B 82, 085439 (2010). Hoonkyung Lee, Bing Huang, Wenhui Duan, and

Jisoon Ihm

75 Multiple localized states and magnetic orderings in partially open zigzag carbon nanotube

superlattices: An ab initio study The Journal of Chemical Physics 133, 084702 (2010). Bing

Huang, Zuanyi Li, Young-Woo Son, Gunn Kim*, Wenhui Duan*, and Jisoon Ihm

76 Intrinsic half-metallic BN–C nanotubes Applied Physics Letters 97, 043115 (2010). Bing

Huang, Chen Si, Hoonkyung Lee, Lu Zhao, Jian Wu, Bing-Lin Gu, and Wenhui Duan*

77 Electronic Phase Diagram of Single-Element Silicon “Strain” Superlattices Physical Review

Letters 105, 016802 (2010). Zheng Liu, Jian Wu, Wenhui Duan, Max G. Lagally, and Feng

Liu*

78 All-optical beam control with high speed using image-induced blazed gratings in coherent

media Physical Review A 82, 013809 (2010). Lu Zhao, Wenhui Duan, and S. F. Yelin

79 Thermal transport in graphene junctions and quantum dots Physical Review B 81, 195425

(2010). Yong Xu, Xiaobin Chen, Jian-Sheng Wang, Bing-Lin Gu, and Wenhui Duan*

80 Quantized thermal conductance at low temperatures in quantum wire with catenoidal

contacts Physical Review B 81, 195317 (2010). Xiao- Fang Peng, Ke-Qiu Chen*, Qing Wan,

B. S. Zou, and Wenhui Duan

81 The half-metallicity of zigzag graphene nanoribbons with asymmetric edge terminations

Journal of Nanoscience and Nanotechnology 10, 5374 (2010). Zuanyi Li, Bing Huang, and

Wenhui Duan*

82 Ab initio study of beryllium-decorated fullerenes for hydrogen storage Journal of Applied

Physics 107, 084304 (2010). Hoonkyung Lee, Bing Huang, Wenhui Duan, and Jisoon Ihm

83 Beryllium-dihydrogen complexes on nanostructures Applied Physics Letters 96, 143120

(2010) Hoonkyung Lee, Bing Huang, Wenhui Duan, and Jisoon Ihm

84 Hydrogen storage in Ca-decorated, B-substituted metal organic framework International

Journal of Hydrogen Energy 35, 198–203 (2010) Xiaolong Zou, Moon-Hyun Cha,

Seungchul Kim, Manh Cuong Nguyen, Gang Zhou, Wenhui Duan, and Jisoon Ihm*

85 Electronic and Magnetic Properties of Partially Open Carbon Nanotubes Journal of the

American Chemical Society 131 (49), 17919–17925 (2009). Bing Huang, Young-Woo Son,

Gunn Kim, Wenhui Duan, and Jisoon Ihm*

86 Towards graphene nanoribbon-based electronics Frontiers of Physics in China 4 (3), 269-

279 (2009). Bing Huang, Qimin Yan, Zuanyi Li, and Wenhui Duan*.

87 Local Vibrational Excitation through Extended Electronic States at a Germanium Surface

Physical Review Letters 103, 266102 (2009). Kota Tomatsu, Kan Nakatsuji, Masamichi

Yamada, Fumio Komori, Binghai Yan, Chiyung Yam, Thomas Frauenheim, Yong Xu, and

Wenhui Duan

88 Intrinsic anisotropy of thermal conductance in grapheme nanoribbons Applied Physics

Letters 95, 233116 (2009). Yong Xu, Xiaobin Chen, Bing-Lin Gu, and Wenhui Duan*

89 Activated dissociation of O2 on Pb(111) surfaces by Pb Adatoms Physical Review B 80,

073406 (2009). Yu Yang, Jia Li, Zhirong Liu, Gang Zhou, Jian Wu, Wenhui Duan*, Peng

Jiang, Jin-Feng Jia, Qi-Kun Xue, Bing-Lin Gu, and S. B. Zhang.

90 Narrowed bandgaps and stronger excitonic effects from small boron nitride nanotubes

Chemical Physics Letters 476, 240-243 (2009). Jun Yu, Dehong Yu, Ying Chen*, Hua Chen,

Meng-Yeh Lin, Bing-Ming Cheng, Jia Li, and Wenhui Duan

91 Edge States of Zigzag Boron Nitride Nanoribbons Journal of the Physical Society of Japan

78 (7), 074713 (2009). Fawei Zheng, Ken-ichi Sasaki, Riichiro Saito*, Wenhui Duan, and

Bing-Lin Gu.

92 Structural and electronic properties of Ge-Si, Sn-Si, and Pb-Si dimers on Si(001) from

density-functional calculations Physical Review B 79, 235437 (2009). Binghai Yan, Kota

Tomatsu, Bing Huang, Andreia Luisa da Rosa, Gang Zhou, Bing-Lin Gu, Wenhui Duan,

Fumio Komori, and Thomas Frauenheim.

93 Molecular and atomic adsorption of hydrogen on TiO2 nanotubes: An ab initio study

Chemical Physics Letters 475, 82 (2009). Feng Lin, Gang Zhou, Zuanyi Li, Jia Li, Jian Wu,

and Wenhui Duan*

94 Preparing spin-polarized scanning tunneling microscope probes on capped carbon

nanotubes by Fe doping: A first-principles study Applied Physics Letters 94, 193106

(2009). Xiaolong Zou, Gang Zhou, Jia Li, Binghai Yan, Jian Wu, Bing-Lin Gu, and Wenhui

Duan*.

95 Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles

Study Physical Review Letters 102, 166404 (2009). Bing Huang, Miao Liu, Ninghai Su, Jian

Wu, Wenhui Duan, Bing-Lin Gu, and Feng Liu*.

96 Magnetism of C Adatoms on BN Nanostructures: Implications for Functional Nanodevices

Journal of the American Chemical Society 131 (5), 1796-1801 (2009). Jia Li, Gang Zhou,

Ying Chen, Bing-Lin Gu, and Wenhui Duan*.

97 Ferromagnetism in pure wurtzite zinc oxide Journal of Applied Physics 105, 07C508

(2009). Xu Zuo, Soack-Dae Yoon, Aria Yang, Wenhui Duan, Carmine Vittoria, and Vincent

G. Harris

98 Flip motion of heterogeneous buckled dimers on Ge(001) by electron injection from STM

tip Surface Science 603, 781-787 (2009). Kota Tomatsu, Binghai Yan, Masamichi Yamada,

Kan Nakatsuji, Gang Zhou, Wenhui Duan, and Fumio Komori.

99 Hydrogen-induced metallicity of SrTiO3 (001) surfaces: A density functional theory study

Physical Review B 79, 035311 (2009). Feng Lin, Shanying Wang, Fawei Zheng, Gang Zhou,

Jian Wu, Bing-Lin Gu, and Wenhui Duan*.

100 Nonequilibrium Green's function method for phonon-phonon interactions and ballistic-

diffusive thermal transport Physical Review B 78, 224303 (2008). Yong Xu, Jian-Sheng

Wang, Wenhui Duan*, Bing-Lin Gu, and Baowen Li.

101 Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons Physical Review B 78,

205415 (2008). Fawei Zheng, Gang Zhou, Zhirong Liu, Jian Wu, Wenhui Duan*, Bing-Lin

Gu, and Shengbai Zhang.

102 Probing superexchange interaction in molecular magnets by spin-flip spectroscopy and

microscopy Physical Review Letters 101, 197208 (2008). Xi Chen, Ying-Shuang Fu, Shuai-

Hua Ji, Tong Zhang, Peng Cheng, Xu-Cun Ma, Xiao-Long Zou, Wenhui Duan, Jin-Feng Jia,

and Qi-Kun Xue*.

103 Electron emission originated from free-electron-like states of alkali-doped boron-nitride

nanotubes Journal of the American Chemical Society 130 (50), 17012-17015 (2008).

Binghai Yan, Changwon Park, Jisoon Ihm, Gang Zhou, Wenhui Duan, and Noejung Park*.

104 Alkali-Metal-Doped B-80 as High-Capacity Hydrogen Storage Media The Journal of

Physical Chemistry C 112, 19268 (2008). Yuanchang Li, Gang Zhou*, Jia Li, Bing-Lin Gu and

Wenhui Duan.

105 Adsorption of gas molecules on graphene nanoribbons and its implication for nano-scale

molecule sensor The Journal of Physical Chemistry C 112, 13442 (2008). Bing Huang,

Zuanyi Li, Zhirong Liu, Gang Zhou, Shaogang Hao, Jian Wu, Bing-Lin Gu and Wenhui

Duan*.

106 Scaling law of the giant Stark effect in boron nitride nanoribbons and nanotubes Physical

Review B 78, 085423 (2008). Fawei Zheng, Zhirong Liu, Jian Wu, Wenhui Duan*, and Bing-

Lin Gu.

107 Hydrogen Storage in Alkali-Metal-Decorated Organic Molecules Applied Physics Letters

93, 063107 (2008). Bing Huang, Hoonkyung Lee, Wenhui Duan, and Jisoon Ihm*.

108 Theoretical investigation of the negative differential resistance in squashed C-60

molecular device Applied Physics Letters 92 (26), 263304 (2008). Zhi-Qiang Fan, Ke-Qiu

Chen*, Qing Wan, B. S. Zou, Wenhui Duan, and Z. Shuai

109 Scattering potentials at Si-Ge and Sn-Ge impurity dimmers on Ge(001) studied by

scanning tunneling microscopy and ab initio calculations Physical Review B 78, 081401 (R)

(2008). Kota Tomatsu, Masamichi Yamada, Kan Nakatsuji, Fumio Komori*, Binghai Yan,

Chenchen Wang, Gang Zhou, and Wenhui Duan.

110 Role of symmetry in the transport properties of grapheme nanoribbons under bias

Physical Review Letters 100, 206802 (2008). Zuanyi Li, Haiyun Qian, Jian Wu, Bing-Lin Gu,

and Wenhui Duan*.

111 High-Resolution Scanning Tunneling Spectroscopy of Impurity-Induced Bound States in

Superconducting Gap Physical Review Letters 100, 226801 (2008). Shuai-Hua Ji, Tong

Zhang, Ying-Shuang Fu, Xi Chen*, Xu-Cun Ma, Jia Li, Wenhui Duan, Jin-Feng Jia, and Qi-

Kun Xue

112 Room-temperature dissociative hydrogen chemisorption on boron-doped fullerenes

Physical Review B 77, 235101 (2008). Hoonkyung Lee, Jia Li, Gang Zhou,Wenhui

Duan,Gunn Kim, and Jisoon Ihm*.

113 Hydrogen-induced metallization of zinc oxide (2¹1¹10) surface and nanowires: The effect

of curvature Physical Review B 77, 245303 (2008). Chenchen Wang, Gang Zhou*, Jia Li,

Binghai Yan, and Wenhui Duan*.

114 Transverse pressure induced phase transitions in boron nitride nanotube bundles and the

lightest boron nitride crystal Journal of the American Chemical Society 130, 5257 (2008).

Shaogang Hao, Gang Zhou, Wenhui Duan*, Jian Wu, and Bing-Lin Gu

115 Suppression of spin polarization in graphene nanoribbons by edge defects and impurities

Physical Review B 77, 153411 (2008). Bing Huang, Feng Liu*, Jian Wu, Bing-Lin Gu,

Wenhui Duan*

116 The adsorption of O2 on Pb films and the effect of quantum modulation: A first-principles

prediction The Journal of Chemical Physics 128, 164705 (2008). Yu Yang, Gang Zhou, Jian

Wu, Wenhui Duan*, Qi-Kun Xue, Bing-Lin Gu, Peng Jiang, Xucun Ma, and S. B. Zhang

117 Phase diagram of ferroelectric BaTiO3 ultrathin films under open-circuit conditions

Journal of Physics: Condensed Matter 20, 135203 (2008). Jie Yu, Zhongqing Wu, Zhirong

Liu, Qimin Yan, Jian Wu, and Wenhui Duan*

118 Tunable electric conductivities of Au-doped boron nitride nanotubes Nano 2 (6), 367-372

(2007). Y. J. Chen, L. Fu, Y. Chen*, J. Zou, J. Li, and Wenhui Duan*

119 Making a field effect transistor on a single grapheme nanoribbon by selective doping

Applied Physics Letters 91, 253122 (2007). Bing Huang, QiminYan, Gang Zhou, Jian Wu,

Bing-Lin Gu, Wenhui Duan*, and Feng Liu

120 Manipulating the Kondo Resonance through Quantum Size Effect Physical Review Letters

99, 256601 (2007). Ying-Shuang Fu, Shuai-Hua Ji, Xi Chen*, Xu-Cun Ma, Rui Wu, Chen-

Chen Wang, Wen-Hui Duan, Xiao-Hui Qiu, Bo Sun, Ping Zhang, Jin-Feng Jia, and Qi-Kun

Xue*

121 Quantum confinement of crystalline silicon nanotubes with nonuniform wall thickness:

Implication to modulation doping Applied Physics Letters 91, 103107 (2007). Binghai Yan,

Gang Zhou, Xiao Cheng Zeng, Jian Wu, Bing-Lin Gu, and Wenhui Duan*

122 Intrinsic Current-Voltage Characteristics of Graphene Nanoribbon Transistors and Effect

of Edge Doping Nano Letters 7 (6), 1469 (2007). Qimin Yan, Bing Huang, Jie Yu, Fawei

Zheng, Ji Zang, Jian Wu, Bing-Lin Gu, Feng Liu* and Wenhui Duan*

123 Self-organization nanodomain structure in ferroelectric ultrathin films Nanotechnology

18, 325703 (2007) Zhongqing Wu, Wenhui Duan, Ningdong Huang, Jian Wu, and Bing-Lin

Gu

124 Experimental observation of quantum oscillation of surface chemical reactivities

Proceedings of the National Academy of Sciences of the United States of America 104

(22), 9204-9208 (2007). Xucun Ma, Peng Jiang, Yun Qi, Jinfeng Jia, Yu Yang, Wenhui Duan,

Wei-Xue Li, Xinhe Bao, S. B. Zhang and Qikun Xue*

125 Physical mechanism of the transport blocking in metallic zigzag carbon nanotubes

Physical Review B 75, 205410 (2007). Tao Zhou, Jian Wu, Wenhui Duan*, and Bing-Lin Gu

126 Structures and stabilities of small lead oxide clusters PbmOn (m=1~4, n=1~2m) The Journal

of Chemical Physics 126, 134705 (2007). Haitao Liu, Shanying Wang, Gang Zhou, Jian Wu,

and Wenhui Duan*

127 Study of dissociation barriers of H2 on Ni (111) and Ni3Fe (111) Physica B 393, 223-227

(2007). A. H. Zhang, Jing Zhu*, and Wenhui Duan

128 Structural and electronic properties of fluorinated double-walled boron nitride

nanotubes: effect of interwall interaction Physical Review B 75, 125410 (2007). Haitao Liu,

Gang Zhou, Qimin Yan, Jian Wu, Bing-Lin Gu, Wenhui Duan*, and Dong-Liang Zhao.

129 Spin-polarized electron current from carbon-doped open armchair boron nitride

nanotubes: Implication for nano-spintronic devices Chemical Physics Letters 437, 83

(2007). Gang Zhou and Wenhui Duan.

130 CO methanation on Ni (111) and modified Ni3Al (111) surfaces: A first-principle study

Surface Science 601 (2), 475 (2007) A. H. Zhang, Jing Zhu*, and Wenhui Duan

131 Unusual vortex structure in ultrathin Pb(Zr0.5Ti0.5)O3 films Journal of Applied Physics 101,

014112 (2007). Zhongqing Wu, Ningdong Huang, Zhirong Liu, Jian Wu, Wenhui Duan*,

and Bing-Lin Gu

132 Hydrostatic-pressure-induced porous gallium nitride from nanotube bundles: an ab initio

study The Journal of Chemical Physics 125, 174711 (2006). Shaogang Hao, Gang Zhou,

Wenhui Duan*, Jian Wu, and Bing-Lin Gu

133 Modulating transmission properties of nanoscale transistors by dipoles near contacts

Applied Physics Letters 89, 243106 (2006) Li Yang, Jian Wu*, Wenhui Duan and Bing-Lin

Gu

134 Effects of vacancy-carboxyl pair functionalization on electronic properties of carbon

nanotubes Applied Physics Letters 89, 173130 (2006). Chenchen Wang, Gang Zhou, Jian

Wu, Bing-Lin Gu, and Wenhui Duan*

135 Theoretical modeling and simulations of perovskite ferroelectrics: From

phenomenological approaches to ab initio Current Opinion in Solid State and Materials

Science 10, 40-51 (2006). Wenhui Duan* and Zhi-Rong Liu

136 Uniaxial-stress effects on electronic properties of silicon carbide nanowires Applied

Physics Letters 89, 023104 (2006). Binghai Yan, Gang Zhou, Wenhui Duan*, Jian Wu, and

Bing-Lin Gu

137 Coadsorption of potassium and carbon monoxide on Ni(111): A density functional theory

study Physical Review B 74, 045425 (2006). A. H. Zhang, Jing Zhu*, and Wenhui Duan

138 Selective adsorption of first-row atoms on BN nanotubes Chemical Physics Letters 426,

148 (2006). Jia Li, Gang Zhou, Haitao Liu, and Wenhui Duan*

139 Tremendous Spin-Splitting Effects in Open Boron Nitride Nanotubes: Application to

Nanoscale Spintronic Devices Journal of the American Chemical Society 128, 8453-8458

(2006). Shaogang Hao, Gang Zhou, Wenhui Duan*, Jian Wu, and Bing-Lin Gu

140 Oxidation of carbon monoxide on Rh (111): A density functional theory study The Journal

of Chemical Physics 124, 234703 (2006). A. H. Zhang, Jing Zhu*, and Wenhui Duan

141 Atomic-vacancy effects on field electron emission of carbon nanotubes: A first-principles

study Chemical Physics Letters 423 (1-3), 229 (2006). Gang Zhou and Wenhui Duan

142 Chemical functionalization of carbon nanotubes by carboxyl groups on Stone-Wales

defects: a density functional theory study The Journal of Physical Chemistry B 110, 10266

(2006). Chenchen Wang, Gang Zhou, Haitao Liu, Jian Wu, Yong~Qiu, Bing-Lin Gu, and

Wenhui Duan*.

143 Structural, electronic and magnetic properties of manganese-doped Zn12O12 clusters: A

first-principles study The Journal of Chemical Physics 124 (17), 174705 (2006). Haitao Liu,

Shanying Wang, Gang Zhou, Jian Wu, and Wenhui Duan*

144 Bonding modes and electronic properties of single-crystalline silicon nanotubes Physical

Review B 73, 155432 (2006). Binghai Yan, Gang Zhou, Jian Wu, Wenhui Duan*, and Bing-

Lin Gu

145 Mechanism of nanoelectronic switch based on telescoping carbon nanotubes Applied

Physics Letters 88, 173107 (2006). Qimin Yan, Gang Zhou, Shaogang Hao, Jian Wu, and

Wenhui Duan*

146 Study of structure characteristics of the Ga8As8 cluster Physics Letters A 349, 224 (2006).

Wei Zhao, Peilin Cao, and Wenhui Duan

147 Localized mixed acoustic modes in non-cubic-axial superlattice with a cap layer Physica E

31, 57 (2006) Jun Yang, Wenxia Li*, and Wenhui Duan

148 Long-range interaction between Stone-Wales defects in zigzag single-walled carbon

nanotubes Physical Review B 72, 193407 (2005). Tao Zhou, Li Yang, Jian Wu*, Wenhui

Duan, and Bing-Lin Gu

149 Dielectric properties of relaxor ferroelectric films Journal of Applied Physics 98, 094105

(2005). Zhongqing Wu, Wenhui Duan, Jian Wu, and Bing-Lin Gu

150 Physical origin of hydrogen-adsorption-induced metallization of the SiC surface: n-type

doping via formation of hydrogen bridge bond Physical Review Letters 95, 196803 (2005).

Hao Chang, Jian Wu, Feng Liu, Bing-Lin Gu, and Wenhui Duan*

151 Ab initio study of transport properties of multi-walled carbon nanotubes Physical Review

B 72, 155425 (2005). Qimin Yan, Jian Wu, Gang Zhou, Wenhui Duan*, and Bing-Lin Gu.

152 Structural characterizations and electronic properties of boron nitride nanotube

crystalline bundles The Journal of Chemical Physics 123, 124716 (2005). Fawei Zheng,

Gang Zhou, Shaogang Hao, and Wenhui Duan*

153 Field emission in doped nanotubes Journal of Nanoscience and Nanotechnology 5, 1421

(2005, invited review). Gang Zhou and Wenhui Duan*

154 Effect of defects on the thermal conductivity in a nanowire Physical Review B 72, 045422

(2005). Ke-Qiu Chen, Wen-Xia Li, Wenhui Duan, Z. Shuai, and Bing-Lin Gu

155 Structural trends interpretation of the metal-to-semiconductor transition in deformed

carbon nanotubes Journal of Applied Physics 97, 114314 (2005). Jun-Qiang Lu, Jian Wu,

Wenhui Duan, Bing-Lin Gu, and H.T. Johnson

156 Spontaneous polarizations of ultrashort-period epitaxial KNbO3/(KTaO3)m superlattices:

an ab initio investigation Applied Physics Letters 86, 232903 (2005). Shaogang Hao, Gang

Zhou, Xiaosu Wang, Jian Wu, Wenhui Duan*, and Bing-Lin Gu.

157 Phase diagram of ultrathin Pb(Zr0.5Ti0.5)O3 films under strain Applied Physics Letters 86,

202903 (2005). Zhongqing Wu, Ningdong Huang, Zhirong Liu, Jian Wu, Wenhui Duan*,

Bing-Lin Gu

158 Generation of Narrow-Band Terahertz Radiation with Preset Frequency Components in

Poled Ferroelectric Materials Journal of Applied Physics 97, 114108 (2005). Xin-Hai Liu,

Jian Wu, Wenhui Duan*, and Bing-Lin Gu

159 Long periodic oscillation of electronic properties in capped finite-length armchair carbon

nanotubes Physical Review B 71, 073409 (2005). Jia Li, Gang Zhou, Li Yang, Jian Wu, and

Wenhui Duan*

160 Spin-polarized electron current from Mn-doped closed zigzag GaN nanotubes Chemical

Physics Letters 401, 47 (2005). Shaogang Hao, Gang Zhou, Jian Wu, Wenhui Duan*, and

Bing-Lin Gu.

161 Textured Pb(Mg1/3Nb2/3)O3-PbTiO3 ceramics by templated grain growth Key Engineering

Materials 280-283, 181-184 Part 1-2 (2005). Kepi Chen, Wenhui Duan, Bing-Lin Gu, L.

Qiao, Heping.Zhou, and Xiao-Wen Zhang.

162 Structural and electronic properties of n-doped and p-doped SrTiO3 Physical Review B 70,

214109 (2004). Weidong Luo, Wenhui Duan, Steven G. Louie, and Marvin L. Cohen

163 Single electron emission from the closed-tips of single-walled carbon nanotubes The

Journal of Chemical Physics 121 (24) 12600 (2004). Gang Zhou, Wenhui Duan, and Bing-

Lin Gu

164 Ferroelectricity in Pb(Zr0.5Ti0.5)O3 thin films: Critical thickness and 180° stripe domains

Physical Review B 70, 104108 (2004). Zhongqing Wu, Ningdong Huang, Zhirong Liu, Jian

Wu, Wenhui Duan*, Bing-Lin Gu, and Xiao-Wen Zhang.

165 Theoretical Studies on the Electronic Structure of Met-Car Ti8C12 The Journal of Chemical

Physics 121, 4123 (2004). Ke Deng, Wenhui Duan, and Bing-Lin Gu.

166 Acoustic phonon mode splitting in an asymmetric y-branch three terminal junction

Applied Physics Letters 85, 822 (2004). Wenxia Li, Keqiu Chen, Wenhui Duan*, Jian Wu,

and Bing-Lin Gu.

167 Acoustic phonon transport through a T-shaped quantum waveguide Journal of Physics:

Condensed Matter 16 (28), 5049 (2004). Wen-Xia Li, Ke-Qiu Chen, Wenhui Duan* Jian

Wu, and Bing-Lin Gu

168 Tunneling energy barriers of emitted electrons in single-walled carbon nanotubes Physical

Review B 70, 035405 (2004). Gang Zhou, Jian Wu, Wenhui Duan, and Bing-Lin Gu

169 Electronic states and doping effect of carbon in edge dislocation core of bcc iron Physical

Review B 69, 214110 (2004). Jiaan Yan, Chongyu Wang, Wenhui Duan, and Shanying

Wang.

170 Effects of Finite Deformed Length in Carbon Nanotubes Applied Physics Letters 84, 4203

(2004). Jun-Qiang Lu, Jian Wu*, Wenhui Duan, and Bing-Lin Gu

171 Spin-polarized electron emitter: Mn-doped GaN nanotubes and their arrays Physical

Review B 69, 113403 (2004). Shaogang Hao, Gang Zhou, Jian Wu, Wenhui Duan*, and

Bing-Lin Gu

172 Electronic-structure theory of crystalline insulators under homogeneous electric field

Physical Review B 69, 085117 (2004). Zhirong Liu, Jian Wu, and Wenhui Duan

173 Electronic transport mechanism of a molecular electronic device: structural effects and

terminal atoms Physics Letters A 323 (1-2), 154 (2004). Jun-Qiang Lu, Jian Wu*, Hao Chen,

Wenhui Duan, Bing-Lin Gu, and Yoshiyuki Kawazoe

174 Phonon transport and thermal conductivity in dielectric quantum wire Journal of Physics

D: Applied Physics 36, 3027-3033 (2003). Wenxia Li, Keqiu Chen, Wenhui Duan*, Jian Wu,

and Bing-Lin Gu

175 Huge enhancement of electromechanical responses in compositionally modulated Pb(Zr1-

xTix)O3 Physical Review Letters 91, 067602 (2003). Ningdong Huang, Zhirong Liu,

Zhongqing Wu, Jian Wu, Wenhui Duan*, Bing-Lin Gu, and Xiao-Wen Zhang.

176 A comprehensive study of Heisenberg-like systems with internal spin fluctuation Journal

of Physics: Condensed Matter 15, 2783-2796 (2003). Huai-Yu Wang, Shan-Ying Wang,

Chong-Yu Wang, Wenhui Duan and Ke-Qiu Chen.

177 Effect of tunneling frequency on relaxor behavior Microelectronic Engineering 66, 676-

682 (2003). Zhongqing Wu, Wenhui Duan, Zhirong Liu, Bing-Lin Gu, and Xiao-Wen Zhang.

178 Influence of the structural defects on localized interface optical phonon modes in

periodically layered heterostructures Microelectronic Engineering 66, 26-32 (2003). Ke-

Qiu Chen, Wenhui Duan, Wen-Xia Li, Jian Wu, Huai-Yu Wang, and Bing-Lin Gu.

179 Metal-to-semiconductor transition in squashed armchair carbon nanotubes. Physical

Review Letters 90, 156601 (2003). Jun-Qiang Lu, Jian Wu, Wenhui Duan, Feng Liu, Bang-

Fen Zhu, and Bing-Lin Gu.

180 Effect of defect-induced internal field on the aging of relaxors Physical Review B 67,

052101 (2003). Zhongqing Wu, Wenhui Duan, Yu Wang, Bing-Lin Gu, and Xiao-Wen

Zhang.

181 Impact of structural defects on the localized acoustic wave in superlattices Physics Letters

A 308 (4), 285-293 (2003). Wenxia Li, Keqiu Chen, Wenhui Duan, Jian Wu, and Bing-Lin

Gu.

182 Localized interface optical modes in a semi-infinite superlattice with a cap layer Journal

of Physics: Condensed Matter 14, 13761 -13775 (2002). Ke-Qiu Chen, Wenhui Duan, Jian

Wu, Bing-Lin Gu, and Ben-Yuan Gu.

183 Admittance of a one-channel conductor containing a scattering region and Andreev

reflection in an N-S mesoscopic system Science in China A 45 (9), 1202-1210 (2002). Gang

Zhang, Zhi-Liang Cao, Wenhui Duan, and Bing-Lin Gu

184 First-principles Investigation on the Structural Stability of Icosahedral Ti12X Clusters, X=B,

C, N, Al, Si, P, V, Cr, Mn, Fe, Co and Ni Journal of Physics B 35, 4015 (2002). Shan-Ying

Wang, Wenhui Duan and Chong-Yu Wang

185 Multiple Tunneling Channels Order-disorder ferroelectric Model and Field-Induced Phase

Transition in Relaxors Physical Review B 65, 174119 (2002). Zhongqing Wu, Wenhui Duan,

Zhirong Liu, Bing-Lin Gu, and Xiao-Wen Zhang

186 Localized Interface Optical-phonon Modes in Two Coupled Semi-infinite Superlattices

Physics Letters A 299, 634 (2002). Ke-Qiu Chen, Wenhui Duan, Bing-Lin Gu, and Ben-Yuan

Gu

187 Effect of substitutional atoms in the tip on field-emission properties of capped carbon

nanotubes Applied Physics Letters 80 (14), 2589 (2002). Gang Zhang, Wenhui Duan and

Bing-Lin Gu

188 Emission probabilities of p electrons in carbon naonotubes. Applied Physics Letters 80

(11), 1999 (2002). Gang Zhou, Wenhui Duan, Bing-Lin Gu and Yoshiyuki Kawazoe

189 First-principles study on the stability of the icosahedral Ti13, Ti13-1, and Ti13

+1 clusters.

Physical Review B 65, 165424 (2002). Shan-Ying Wang, Wenhui Duan, Dong-Liang Zhao

and Chong-Yu Wang

190 The effects of oxygen substitution on electronic structure of single-walled carbon

nanotubes Solid State Communications 122, 121 (2002). Gang Zhang, Wenhui Duan and

Bing-Lin Gu

191 Qualitative and quantitative descriptions on localized electronic structure in single-walled

carbon nanotubes The Journal of Chemical Physics 116 (5), 2284-2288 (2002). Gang Zhou,

Wenhui Duan, Bing-Lin Gu and Yoshiyuki Kawazoe

192 Energetics and electronic structure Re and Ta in the g’ phase of Ni-based superalloys

Physical Review B 65, 035101 (2002). Shan-Ying Wang, Chong-Yu Wang, Jia-Hua Sun,

Wenhui Duan, and Dong-Liang Zhao

193 First-principles Study on Electronic Structure and Bonding Characteristics of Carbon

Nanotubes Acta Chimica Sinica (in Chinese) 59 (12): 2089-2092 (2001). Gang Zhou,

Wenhui Duan, and Bing-Lin Gu.

194 Electronic structure of carbon nanotube in the growth Chemical Journal Of Chinese

Universities (in Chinese) 22 (11): 1889-1892 (2001). Gang Zhou, Wenhui Duan, and Bing-

Lin Gu.

195 Electronic structure and field emission characteristics of open-ended single-walled

carbon nanotubes Physical Review Letters 87, 95504 (2001). Gang Zhou, Wenhui Duan,

and Bing-Lin Gu.

196 Soft Modes in Order-disorder Ferroelectrics Applied Physics Letters 79 (9), 1333 (2001).

Zhi-Rong Liu, Wenhui Duan, Bing-Lin Gu, and Xiao-Wen Zhang.

197 Dimensional Effects on Field Emission Properties of the Body for Single-walled Carbon

Nanotubes Applied Physics Letters 79 (6), 836 (2001). Gang Zhou, Wenhui Duan, and

Bing-Lin Gu.

198 Stochastic Resonance Induced by Random Fields in Ferroelectrics Europhysics Letters 55

(1), 1 (2001). Zhi-Rong Liu, Wenhui Duan, Bing-Lin Gu, and Xiao-Wen Zhang.

199 Proposed Measurement of Coherence and Phase Sensitivity in a Mesoscopic System

Physical Review B 63, 155302 (2001). Gang Zhang, Zhiliang Cao, Wenhui Duan and Bing-

Lin Gu

200 Ab initio Study of MgSiO3 Low-clinoenstatite American Mineralogist 86 (5-6), 762-766

(2001). Wenhui Duan, Bijaya B. Karki, Renata M. Wentzcovitch, and Bing-Lin Gu

201 First Principles Study on Morphology and Mechanical Properties of Single-walled Carbon

Nanotube Chemical Physics Letters 333 (5), 344-349 (2001). Gang Zhou, Wenhui Duan,

and Bing-Lin Gu.

202 Finite Size Effects in Carbon Nanotubes Applied Physics Letters. 77 (16), 2554 (2000). Jian

Wu, Wenhui Duan, Bing-Lin Gu, Jing-Zhi Yu, and Yoshiyuki Kawazoe.

203 Magnetostructural Effects and Phase Transition in Cr2O3 under Pressure Physical Review

B 62 (18), 11997 (2000). Alexander Yu. Dobin, Wenhui Duan, and Renata M.

Wentzcovitch.

204 Ab initio study of MgSiO3 lowclinoenstatite at high pressure American Mineralogist 85,

317 (2000). B. B. Karki, Wenhui Duan, C. R. S. Da Silva, and Renata M. Wentzcovitch

205 Electronic Structure of High-pressure Alumina Polymorphs Chinese Physics Letters 17 (6),

441 (2000) Xiaolei Liu, Wenhui Duan, and Bing-Lin Gu.

206 Electron--optical-phonon Scattering in Non-square Quantum-well Structures Solid State

Communication 144 (2), 101-106 (2000). Wenhui Duan, Jia-Lin Zhu, Bing-Lin Gu, and Jian

Wu

207 First Principles Search for High Pressure Phases of GaAsO4 Physical Review B 60(6), 3751-

3756 (1999). Wenhui Duan, Renata M. Wentzcovitch and J. R. Chelikowsky.

208 High-pressure elasticity of alumina studied by first principles American Mineralogist 84

(11-12) 1961-1966 (1999). Wenhui Duan, Bijaya Karki, and Renata M. Wentzcovitch.

209 Optical Transitions in Ruby across the Corundum to Rh2O3 (II) Phase Transformation

Physical Review Letters 81 (15), 3267 (1998). Wenhui Duan, G. Paiva, Renata M.

Wentzcovitch, and A. Fazzio.

210 Optical transitions in ruby across the corundum to Rh2O3 (II) phase transformation Mater.

Res. Soc. Symp. Proc. 499, 275 (1998). Wenhui Duan, G. Paiva, Renata M. Wentzcovitch,

and A. Fazzio.

211 First-Principles Study of High-Pressure Alumina Polymorphs Physical Review B 57, 10363

(1998). Wenhui Duan, Renata M. Wentzcovitch, and Kendall T. Thomson.

212 Resonant tunneling in an Aharonov-Bohm ring with a quantum dot Physical Review

Letters 80, 1952 (1998). Jian Wu, Bing-Lin Gu, Hao Chen, Wenhui Duan and Yoshiyuki

Kawazoe.

213 The Study on the Filling of Atoms in a Carbon Nanotube International Journal of Modern

Physics B 12, 1601 (1998). Jian Wu, Ming-Liang Wang, Rong Lu, and Wenhui Duan.

214 Intrasubband Electron-phonon Scattering in Doped Thin-layer Inserted Quantum Well

Solid State Communication. 104, 689 (1997). Bing-Lin Gu, Youjiang Guo, Wenhui Duan

and Shiying Xiong.

215 Cluster Model for P-type Doping of ZnSe Chinese Physics Letters 14, 528 (1997). Tianlin

Ren, Jia-Lin Zhu, Jiajiong Xiong, Wenhui Duan and Fuhe Wang.

216 Carbon Doping Effects on the Electronic Structure of Boron Nitride Defect And Diffusion

Forum 152, 19 (1997). Haifeng Zhang, Chongyu Wang, Wenhui Duan and R. Fang.

217 Transport in Asymmetric Multiple-barrier Magnetic Nanostructures Physical Review B 55,

9314 (1997). Yong Guo, Bing-Lin Gu, Wenhui Duan, and Yu Zhang.

218 Level Width of a Quasibound State in a Double-barrier Parabolic-well Resonant Tunneling

Structure Z. Phys. B 102, 217 (1997). Yong Guo, Bing-Lin Gu, and Wenhui Duan

219 Electric Field-dependent Intersubband Transition via Optical Phonon in a Doped Thin-

layer Inserted Quantum Well Structure Physical Review B 54,16983 (1996). Bing-Lin Gu,

Wenhui Duan, Shiying Xiong and Youjiang Guo.

220 Optical Interface Phonon in Thin Layer Inserted Quantum Well Structure Chinese Physics

Letters 13, 768 (1996). Bing-Lin Gu, Wenhui Duan and Shiying Xiong.

221 Effect of Electric Field on Electron--Interface-Phonon Scattering in Graded Quantum Well

Physics Letters A 215, 309 (1996). Jia-Lin Zhu, Wenhui Duan, Bing-Lin Gu and Jian Wu.

222 Chemical Composition Fluctuation at Interfaces in Quantum Well Structures: Effect on

Interface Phonon Modes Physics Letters A 200, 329 (1995). Wenhui Duan, Jia-Lin Zhu,

Bing-Lin Gu and Chong-Yu Wang.

223 Electron-Phonon Scattering in GaAlAs Quantum-well Structures in an Electric Field

Physical Review B 50, 5473 (1994). Jia-Lin Zhu, Wenhui Duan and Bing-Lin Gu.

224 Electron--interface-phonon Scattering in Graded Quantum Well Structure Physical Review

B 49, 14403 (1994). Wenhui Duan, Jia-Lin Zhu and Bing-Lin Gu.

225 Electron-interface Phonon Scattering in GaAs/Ga1-xAlxAs Quantum Well Structures with

Interface Roughness Journal of Physics: Condensed Matter 5, 2859 (1993). Wenhui Duan,

Jia-Lin Zhu and Bing-Lin Gu.

226 D- Centers in Quantum Dots Physical Review B 46, 7546 (1992). Jia-Lin Zhu, Jie-Hua Zhao,

Wenhui Duan and Bing-Lin Gu.