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成果及论文

代表性论著(Selective Publications)


2024(*Corresponding Author)

83. Linghui Fang, Liqin Su, Haibiao Guan, Zehao Liu, Yue Yu, Dan Cao, Xiaoshuang Chen; Haibo Shu*Identification of Active Sites for Thermal oxidation-induced Doping and Etching in CVD-grown Monolayer Transition Metal Dichalcogenides. ACS Applied Nano Materials 2024, 7, 5063-5073.

82. Qingyuan Luo; Liqin Su; Yanan Lu; Linghui Fang; Dan Cao; Xiaoshuang Chen; Haibo Shu*Computational Screening of 2D All-Inorganic Lead-Free Halide Perovskites A3B2X9 for Photovoltaic and Photocatalytic ApplicationsAdv. Theory Simul. 2024, 7, 2300988.

81. Xiaojian Wang, Meijie Zhu, Hui Pan, Xue Yang, Zeqi Hua, Shanshan Chen, Shaojuan Li, Haibo Shu, Jin Zhang, Qingliang Feng, Composition-Triggered Growth of Monolayer MoTe2(1-x)S2x Alloys with Coherent Phase Interfaces for High-Performance Broadband Photodetection. Adv. Funct. Mater. 2024, 34, 2310066.

2023(*Corresponding Author)

80. Yanyan Li, Liqin Su, Yanan Lu, Qingyuan Luo, Pei Liang, Haibo Shu*, Xiaoshuang ChenHigh-throughput screening of phase-engineered atomically thin transition-metal dichalcogenides for van der Waals contacts at the Schottky–Mott limit. InfoMat 2023, 5, e12407.

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79. Jie Yan, Dan Cao*, Meng Li, Qingyuan Luo, Xiaoshuang Chen, Liqin Su, Haibo Shu*, High-throughput computational screening of all-MXene metal-semiconductor junctions for Schottky-barrier-free contacts with weak Fermi-level pinning.  Small 2023, 19, 2303675.

78. Chuangwei Sheng, Yonghao Bu, Yanyan Li, Liqin Su, Yue Yu, Dan Cao, Jing Zhou*, Xiaoshuang Chen, Wei Lu, and Haibo Shu*Phase-Controllable Growth of Air-Stable SnS Nanostructures for High-Performance Photodetectors with Ultralow Dark. ACS Applied Materials & Interfaces 2023, 15, 14704-14714.

77. Mingsong Zhang, Liqin Su, Linghui Fang, Zhaojun Shi, Qingyuan Luo, Yue Yu, Dan Cao, Xiaoshuang Chen,  Haibo Shu*Halide Anion Exchange Driven Structural Phase Transition in CsPbX3 Perovskites: Alloys versus Heterostructures. ACS Appl. Electron. Mater. 2023, 5, 6246-6254.

76. Yannan Lu, Liqin Su, Linghui Fang, Qingyuan Luo, Meiying Gong, Dan Cao, Xiaoshuang Chen, Xiaowen Shi, Haibo Shu*Domain nucleation kinetics and polarization-texture-dependent electronic properties in two-dimensional α-In2Se3 ferroelectrics. Nanoscale 2023, 15, 18306-18316.

75. Gaojie Zhang, Qingyuan Luo, Xiaokun Wen, Hao Wu, Li Yang, Wen Jin, Luji Li, Jia Zhang, Wenfeng Zhang, Haibo Shu*, and Haixin Chang*,Giant 2D Skyrmion Topological Hall Effect with Ultrawide Temperature Window and Low-Current Manipulation in 2D Room-Temperature Ferromagnetic Crystals. Chin. Phys. Lett. 2023, 40, 117501.

74. Yanyan Li, Mingjun Yang, Yanan Lu, Dan Cao, Xiaoshuang Chen, Haibo Shu*, Reversible doping polarity and ultrahigh carrier density in two-dimensional van der Waals ferroelectric heterostructures. Frontiers of Physics 2023, 19, 33307.

73. Ruhan Xiao, Qingyuan Luo, Zhengyi Cao, Chuang Tian, Shuang Wang, Sunwen Zhao, Guanghua Zhang, Zhonghui Li, Yanhui Zhang, Haibo Shu*, Yun Wu*, Guanghui Yu*, Hydrogen-modulation method for wafer-scale few-layer single-crystal graphene growth. Carbon 2023, 213, 118289

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2022(*Corresponding Author)

72. Ning Wang, Haining Liu, Xi Zhou, Qingyuan Luo, Xue Yang, Hongyan Yang, Haibo Shu*, Hua Xu, Qiuyu Zhang, Diane Hildebrandt, Xinying Liu, Shanlin Qiao*, Bilu Liu, Qingliang Feng*, Improving Harsh Environmental Stability of Few-Layer Black Phosphorus by Local Charge Transfer. Adv. Funct. Mater. 2022, 32, 2203967.

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71. Xueyin Liu, Dan Cao*, Yizhou Yao, Pengtao Tang, Mingsong Zhang, Xiaoshuang Chen,  Haibo Shu* , Heteroepitaxial Growth and  Interface Band Alignment in a Large-Mismatch CsPbI3/GaN Heterojunction. J. Mater. Chem. C 2022, 10, 1984-1990.

Graphical abstract: Heteroepitaxial growth and interface band alignment in a large-mismatch CsPbI3/GaN heterojunction

70. Mingjun Yang,  Haibo Shu* , Yanyan Li, Dan Cao, Xiaoshuang Chen, Polarization-Induced Band Alignment Transition and Nonvoltile p-n Junctions in 2D van der Waals Heterostructures. Adv. Electron. Mater. 2022, 8, 2101022.

69. Mingsong Zhang, Qingyuan Luo, Chuangwei Sheng, Dan Cao, Xiaoshuang Chen, Haibo Shu*, Space-confined growth of large-mismatch CsPb(BrxCI1-x)3/GaN heterostructures with tunable band alignments and optical properties. Inorg. Chem. Front. 2022, 8, 4661-4670.

Graphical abstract: Space-confined growth of large-mismatch CsPb(BrxCI1−x)3/GaN heterostructures with tunable band alignments and optical properties

68Yizhou Yao, Dan Cao*, Jie Yan, Mingsong Zhang, Xiaoshuang Chen, Haibo Shu*, Spacer Cation Engineering of Two-Dimensional Hybrid Perovskites with Tunable Band Alignment and Optoelectronic Properties. J. Phys. Chem. C 2022, 126, 8408-8416.

2021

67. Mingjun Yang,  Haibo Shu*, Pengtao Tang, Pei Liang, Dan Cao, Xiaoshuang Chen, Intrinsic polarization-induced enhanced ferromagnetism and self-doped p-n junctions in CrBr3/GaN van der Waals heterostructures. ACS Applied Materials & Interfaces 2021, 13, 8764-8773.

66. Qiuqi Li, Dan Cao, Xueyin Liu, Xiangyu Zhou, Xiaoshuang Chen,  Haibo Shu* Hierarchical compuational screening of layered lead-free metal halide perovskites for optoelectronic applications. Journal of Materials Chemistry A 2021, 9, 6476-6486.

 

65. Pengtao Tang, Haibo Shu*, Mingjun Yang, Mingsong Zhang, Chuangwei Sheng, Pei Liang, Dan Cao, and Xiaoshuang Chen, Rapid Wafer-Scale Growth MoS2(1-x)Se2x Alloy Monolayers with Tunable Compositions and Optical Properties for High-Performance Photodetectors. ACS Applied Nano Materials 2021, 4, 12609-12618 (Cover article).

 

64Hao Wu, Wenfeng Zhang, Li Yang, Jun Wang, Jie Li, Luying Li, Yihua Gao, Liang Zhang, Juan Du, Haibo Shu, and Haixin Chang, Strong Intrinsic Room-Temperature Ferromagnetism in Freestanding Non-van der Waals Ultrathin 2D Crystals. Nature Communications 2021, 12, 5688.

63. He Kang, Pengtao Tang, Haibo Shu, Yijian Liang, Jiang Li, Zhiying Chen, Yanping Sui, Shike Hu, Shuang Wang, Sunwen Zhao, Xuefu Zhang, Chengxin Jiang, Yulong Chen, Zhongying Xue, Miao Zhang, Da Jiang, Guanghui Yu, Xinyu Liu, Epitaxial Growth of Wafer Scale Antioxidant Single-Crystal Graphene on Twined Pt(111). Carbon 2021, 181, 225-233.

2020

62. Jun Wang, Xiangyu Zhou, Mingjun Yang, Dan Cao, Xiaoshuang Chen,  Haibo Shu*, Interface and Polarization Effects Induced Schottky-Barrier-Free  in Two-Dimensional Mxene/GaN Heterojunctions.  J. Mater. Chem. C 2020, 8, 7350-7357.

Graphical abstract: Interface and polarization effects induced Schottky-barrier-free contacts in two-dimensional MXene/GaN heterojunctions

61. Xiangyu Zhou,  Haibo Shu*, Qiuqi Li, Pei Liang, Dan Cao, Xisoahung Chen, Electron Injection Driven Phase Transition in Two-Dimensional Transition Metal Dichalcogenides.  J. Mater. Chem. C 2020, 8, 4432-4440.

Graphical abstract: Electron-injection driven phase transition in two-dimensional transition metal dichalcogenides

60. Wenfeng Wang,  Haibo Shu*, Jun Wang, Yecheng Cheng, Pei Liang, Xisoahung Chen, Defect Passivation and Photoluminescence Enhancement of Monolayer MoS2 Crystals through Sodium-Halide Assisted Chemical Vapor Deposition. ACS Applied Materials & Interfaces 202012, 9563-9567.

59. Yecheng Cheng, Pengtao Tang, Pei Liang, Xueyin Liu, Dan Cao, Xiaoshuang Chen,  Haibo Shu*Sulfur-Driven Transition from Vertical to Lateral Growth of 2D SnS-SnS2 Heterostructures and Their Band Alignments. J. Phys. Chem. C 2020124, 27820-27828.

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58. Wenfeng Wang,  Haibo Shu*, Dong Zhou, Jun Wang, Xiaoshuang Chen, Ultrafast Nucleation and Growth of High-Quality MoSe2 Monolayer via Vapor-Liquid-Solid Mechanism. Nanotechnology 2020124, 27820-27828.

57Jun Wang,  Haibo Shu*, Xiangyu Zhou, Pei Liang, Dan Cao, Xiaoshuang Chen, Intriguing Electronic Structures and Carrier Mobilities of Two-Dimensional GaN Nanosheets. Comput. Mater. Sci. 2020172, 109337.

Before 2020 (*Corresponding author)

56. Xiaodong Yang, Haibo Shu*, Xinxin Wang, Yang Shen, Naifeng Shen, Baolin Wang, Jianguo Wang*, Guanghou Wang. Negative electron affinity driven broadband absorption of Cs3+nPbnSb2I9+3n/GaN van der Waals heterostructures. J. Mater. Chem. A 2019, 7, 22346.

55. Jun Wang, Haibo Shu*, Pei Liang, Ning Wang, Dan Cao, Xiaoshuang Chen. Thickness dependent phase stability and electronic properties of GaN nanosheets and MoS2/GaN van der Waals heterostructures. J. Phys. Chem. C 2019, 123, 3861-3867.

54. Tianfeng Zhao, Haibo Shu*, Zihong Shen, Huimin Hu, Jun Wang, Xiaoshuang Chen. Electrochemical lithiation mechanism of Two-dimensional transition metal dichalcogenide anode materials: Intercalation versus conversion reactions. J. Phys. Chem. C 2019, 123, 2139-2146.

53. Luxi Zhang, Weitao Su*, Haibo Shu*, Ting Lu, Li Fu, Kaixin Song, Xiwei Huang, Jinhong Yu, Chengte Lin, Yiping Tang. Tuning the photoluminescence of large Ti3C2Tx MXene flakes. Ceramics International 2019, 45, 11468-11474.

52. Pei Liang, Lin Zhang, Dan Wang, Xiaolei Man, Haibo Shu, Le Wang, Houzhao Wan, Xiaoqing Du, Hao Wang, First-principles explorations of Li2S@V2CTx hybrid structure as cathode materials for lithium-sulfur battery. Appl. Surf. Sci. 2019, 489, 677-683. 

51.  Ning Wang, Dan Cao*, Jun Wang, Pei Liang, Xiaoshuang Chen, Haibo Shu*. Semiconducting edges and flake shape evolution of monolayer GaSe: role of edge reconstruction. Nanoscale 2018, 10, 12133-12140. 

50. Weitao Su*, Yongguan Li, Leifeng Chen, Dexuan Huo, Kaixin Song, Xiwen Huang, and Haibo Shu*, Nonstoichiometry Induced broadband tunable photoluminescence of monolayer WSe2. Chem. Comm. 2018, 54, 743.

49. Dong Zhou, Haibo Shu*, Chenli Hu, Li Jiang, Pei Liang, and Xiaoshuang Chen, Unveiling the growth mechanism of MoS2 with chemical vapor deposition: From 2D planar nucleation to self-seeding nucleation. Crystal Growth Des. 2018, 18, 1012. 

48. Jun Wang, Haibo Shu*, Tianfeng Zhao, Pei Liang, Ning Wang, Dan Cao, Xiaoshuang Chen. Intriguing electronic and optical properties of two-dimensional Janus transition metal dichalcogenides. Phys. Chem. Chem. Phys. 2018, 20, 18571-18578. 

47.  Chenli Hu, Haibo Shu*, Zihong Shen, Tianfeng Zhao, Pei Liang, Xiaoshuang Chen. Hierarchical MoO3/SnS2 core-shell nanowire with enhanced electrochemical performance for lithium ion batteries. Phys. Chem. Chem. Phys. 2018, 20, 17171-17179.

46. Jie Li, Meiling Hong, Leijie Sun, Wenfeng Zhang, Haibo Shu, Haixin Chang*, Enhanced electrocatalytic hydrogen evolution from large-scale, facile-prepared, highly crystalline WTe2 nanoribbons with Welyl semimetallic phase. ACS Appl. Mater. Interfaces 2018, 10, 458.

45.  Lin Zhang, Pei Liang*, Haibo Shu, Xiaolei Man, Xiaoqing Du, Dongliang Chao, Zugang Liu, Yuping Sun, Houzhao Wan, Hao Wang, Design rules of heteroatom-doped graphene to achieve high performance lithium-sulfur batteries: both strong anchoring and catalyzing based on first-principles calculation. J. Colloid Interface Sci. 2018, 529, 426.

44.  Haibo Shu*, Dong Zhou, Feng Li, Dan Cao, and Xiaoshuang Chen, Defect engineering in MoSe2 for the hydrogen evolution: from point defects to edges. ACS Appl. Mater. Interfaces 2017, 9, 42688.

43.  Shanlong Chen, Jie Tao*, Haibo Shu*, Haijun Tao, Yuxin Tang, Yizhou Shen, Tao Wang, Lei Pan, Efficient electron transfer kuramite Cu3SnS4 nanosheet thin film towards platinum-free cathode in dye sensitized solar cells. J. Power Sources 2017, 341, 60.

42.  Ning Wang, Dan Cao*, Jun Wang, Pei Liang, Xiaoshuang Chen, and Haibo Shu*, Interface effect on electronic and optical properties of antimonene/GaAs van der Waals heterostructures. J. Mater. Chem. C 2017, 5, 9687.

41.  Feng Li, Haibo Shu*, Xintong Liu, Zhaoyi Shi, Pei Liang, and Xiaoshuang Chen, Electocatalytic activity and design principles of heteroatom-doped graphene catalysts for oxygen reduction reaction. J. Phys. Chem. C 2017, 121, 14434. 

40.  Yang Zhang, Xiaoshuang Chen*, Yan Huang, Chong Zhang, Feng Li, Haibo Shu*, The role of intrinsic defects in electrocatalytic activity of monolayer VS2 basal planes for the hydrogen evolution reaction. J. Phys. Chem. C 2017, 121, 1530. 

39.  Dancheng Zhu, Haibo Shu, Feng Jiang, Danhui Lv, Vijayshankar Asokan, Omar Omar, Jun Yuan, Ze Zhang,* Chuanhong Jin,* Capture the Growth Kinetics of CVD Growth of Two-Dimensional MoS2. npj 2D Materials and Applications. 2017, 1, 8.

38.  Lin Zhang, Pei Liang*, Haibo Shu, Xiaolei Man, Feng Li, Jie Huang, Qianmin Dong, and Dongliang Chao, Borophene as efficient sulfur hosts for lithium-sulfur batteries: Suppressing shuttle effect and improving conductivity. J. Phys. Chem. C 2017, 121, 15549.

37.  Haibo Shu*, Feng Li, Chenli Hu, Pei Liang, Dan Cao, and Xiaoshuang Chen, Capacity fading mechanism and improvement of cycling stability in MoS2-based anode materials for lithium ion batteries. Nanoscale 2016, 8, 2918.

36.  Haibo Shu*, Feng Li, Pei Liang, and Xiaoshuang Chen, Unveiling the atomic structure and electronic properties of atomically thin boron sheets on Ag(111) surface. Nanoscale 2016, 8, 16284.

35.  Haibo Shu*, Xiaodong Yang, Pei Liang, Dan Cao, and Xiaoshuang Chen, Impact of surface point defects on electronic properties and p-type doping of GaAs nanowires. J. Phys. Chem. C 2016, 120, 22088.

34.  Yanhui Zhang, Haoran Zhang, Feng Li, Haibo Shu*, Zhiying Chen, Yanping Sui, Yaqian Zhang, Xiaoming Xie, Guanghui Yu*, Zhi Jin, Xinyu Liu. Invisible growth of microstructural defects in graphene chemical vapor deposition on copper foil. Carbon 2016, 96, 237-242. 

33.  Xiaodong Yang, Haibo Shu*, and Xiaoshuang Chen, Band structures and spatial carrier confinement in GaAs/GaP core-shell nanowires: core-shell composition and size effects. J. Alloys Compd. 2016, 682, 571

32.  D. Cao, H. B. Shu, T. Q. Wu, Z. T. Jiang, Z. W. Jiao, M. Q. Cai, and W. Y. Hu, First-Principles study of the origin of magnetism induced by intrinsic defect in monolayer MoS2. Appl. Surf. Sci. 2016, 361, 199-205.

31.  Jie Li, Chenli Hu, Hao Wu, Zhixuan Liu, Shuai Cheng, Wenfeng Zhang, Haibo Shu, and Haixin Chang, Facile preparation of single MoS2 atomic crystals with highly tunable photoluminescence by morphology and atomic structure. Cryst. Growth Des. 2016, 16, 7094.

30.  Feng Li, Haibo Shu*, Chenli Hu, Zhaoyi Shi, Xinton Liu, Pei Liang, and Xiaoshuang Chen, Atomic mechanism of electrocatalytically active Co-N complex in graphene basal plane for oxygen reduction reaction. ACS Appl. Mater. Interfaces 2015, 7, 27405. (封面文章)

29.  Haibo Shu*, Pengfei Luo, Pei Liang, Dan Cao, and Xiaoshuang Chen, Layer-dependent dopant stability and magnetic exchange coupling of iron-doped MoS2 nanosheets. ACS Appl. Mater. Interfaces 2015,7, 7534. 

28.  Haibo Shu, Xiaoming Tao, and Feng Ding*, What are the active carbon species during graphene chemical vapor deposition growth? Nanoscale 2015, 7, 1627. 

27.  Dan Cao, Tao Shen, Pei Liang, Xiaoshuang Chen, and Haibo Shu*, Role of chemical potential in flake shape and edge properties of monolayer MoS2. J. Phys. Chem. C 2015, 119, 4294.

26.  Xiaodong Yang, Haibo Shu*, Pei Liang, Dan Cao, and Xiaoshuang Chen, Crystal phase and facet effects on structural stability and electronic properties of GaP nanowires. J. Phys. Chem. C 2015, 119,12030. 

25.  Yanping Sui, Bo Zhu, Haoran Zhang, Haibo Shu, Zhiying Chen, Yanhui Zhang, Yaqian Zhang, Bing Wang, Xiaoming Xie, Guanghui Yu*, Zhi Jin, and Xinyu Liu, Temperature dependent Nitrogen configuration of N-doped graphene by chemical vapor deposition. Carbon 2015, 81, 814.

24.  Suixing Shi, Zhi Zhang, Zhenyu Lu, Haibo Shu, Pingping Chen, Ning Li, Jin Zou, and Wei Lu, Evolution of morphology and microstructure of GaAs/GaSb nanowire heterostructures. Nano. Res. Lett. 2015, 10, S11671.

23.  Haibo Shu, Xiaoshuang Chen, and Feng Ding*. The edge termination controlled kinetics of graphene chemical vapor deposition growth. Chem. Sci. 2014, 5, 4639. 

22.  Haibo Shu*, Dan Cao, Pei Liang, Xiaofang Wang, Xiaoshuang Chen, and Wei Lu. Two dimensional silicene nucleation on a Ag(111) surface: structural evolution and the role of surface diffusion. Phys. Chem. Chem. Phys. 2014, 16, 304. 

21.  Xiaodong Yang, Haibo Shu*, Mengting Jin, Pei Liang, Dan Cao, Can Li, and Xiaoshuang Chen. Crystal facet effect on structural stability and electronic properties of wurtzite InP nanowires. J. Appl. Phys. 2014, 115, 214301.

20.  Mengting Jin, Haibo Shu*, Pei Liang, Dan Cao, Xiaoshuang Chen, and Wei Lu. Role of chemical potential in tuning equilibrium crystal shape and electronic properties of wurtzite GaAs nanowires. J. Phys. Chem. C 2013, 117, 23349.

19.  Dan Cao, Haibo Shu*, Zhiwei Jiao, Yun Zhou, Miaogen Chen, Mengqiu Cai, and Wangyu Hu. Strain driven enhancement of ferroelectricity and magnetoelectric effect in multiferroic tunnel junction. Phys. Chem. Chem. Phys. 2013, 15, 14770.

18.  Yang Liu, Haibo Shu*, Pei Liang, Dan Cao, Xiaoshuang Chen, Wei Lu. Structural, electronic, and optical properties of hydrogenated few-layer silicene: size and stacking effects. J. Appl. Phys. 2013, 114, 094308. 

17.  Haibo Shu*, Dan Cao, Pei Liang, Xiaoshuang Chen, and Wei Lu. Band-offset effect on localization of carriers and p-type doping of InAs/GaAs core-shell nanowires. Phys. Lett. A 2013, 377, 1464.

16.  Ya-Nan Guo, Hong-Yi Xu, Graeme J. Auchterlonie , Tim Burgess,  Hannah J. Joyce, Qiang Gao, Hark Hoe Tan, Chennupati Jagadish, Hai-Bo Shu, Xiao-Shuang Chen, Wei Lu,Yong Kim , and Jin Zou. Phase separation induced by Au catalysts in ternary InGaAs nanowires. Nano Lett. 2013, 13, 643.

15.  Kelvin K. Leung, Wei Wang, Haibo Shu, Yeung Yu Hui, Shifeng Wang, Patrick W. K. Fong, Feng Ding, Shu Ping Lau, Chi-hang Lam, and Charles Surya. Theoretical and experimental investigations on the growth of SnS van der Waals epitaxies on graphene buffer layer. Cryst. Growth Des. 2013, 13, 4755.

14.  Haibo Shu, Xiaoshuang Chen, Xiaoming Tao, Feng Ding*. Structural stability and growth kinetics of graphene edges in chemical vapor deposition (CVD) growth. ACS Nano 2012, 6, 3243. 

13.  Qinghong Yuan#, Junfeng Gao#, Haibo Shu#, Jijun Zhao, Xiaoshuang Chen, Feng Ding*. (#共同一作), Magic carbon clusters in the chemical vapor deposition (CVD) growth of graphene. J. Am. Chem. Soc. 2012, 134, 2970. 

12.  Haibo Shu*, Dan Cao, Pei Liang, Shangzhong Jin, Xiaoshuang Chen, Wei Lu. Effect of molecular passivation on the doping of InAs nanowires. J. Phys. Chem. C 2012, 116, 17928.

11.  Haibo Shu*, Xiaoshuang Chen, Zongling Ding, Ruibin Dong, Wei Lu. First principles study of the doping of InAs nanowires: Role of surface dangling bonds. J. Phys. Chem. C 2011, 115, 14449.

10. Haibo Shu*, Pei Liang, Le Wang, Xiaoshuang Chen*, Wei Lu. Tailoring electronic properties of InAs nanowires by surface functionalization. J. Appl. Phys. 2011, 110, 103713. 

9.  Haibo Shu, Xiaoshuang Chen*, Huxian Zhao, Xiaohao Zhou and Wei Lu, Structural stability and electronic properties of InAs nanowires and nanotubes: Effects of surface and size. J. Phys. Chem. C 2010, 114, 17514. 

8.  Haibo Shu, Xiaoshuang Chen*, Xiaohao Zhou, Zongling Ding, and Wei Lu, First- Principles Study of Initial Growth of InP Nanowires: Self-Catalytic Effect and Nucleation Mechanism of In Adatoms. J. Phys. Chem. C 2010, 114, 10195.

7.  Haibo Shu, Xiaoshuang Chen*, and Wei Lu, Catalytic effect and nucleation stability of Au on GaAs(111)B surface. J. Appl. Phys. 2010, 108, 013526. 

6.  Haibo Shu, Xiaoshuang Chen*, Ruibin Dong, Xiaofang Wang, and Wei Lu, Thermodynamic phase diagram for hydrogen on polar InP(111)B surfaces. J. Appl. Phys. 2010, 107, 063516. 

5.  Haibo Shu, Xiaoshuang Chen*, Xiaohao Zhou, and Wei Lu, Spatial confinement of carriers and tunable band structures in InAs/InP core-shell nanowires. Chem. Phys. Lett. 2010, 495, 261. 

4.  Haibo Shu, Xiaoshuang Chen*, Ruibin Dong, Zongling Ding, and Wei Lu, Preferential adsorption of gallium on GaAs(111)B surfaces during the initial growth of Au-assisted GaAs nanowires. Phys. Lett. A 2010, 374, 3247. 

3.  H. B. Shu, L. Z. Sun*, Z. L. Zhong, J. B. Wang, and Y. C. Zhou*, Bonding mechanism and relaxation energy of SrBi2B2O9 (B=Ta, Nb): First-principles study. J. Phys. Chem. Solids 2009, 70, 707. 

2.  X. F. Wang, X. S. Chen, H. B. Shu, R.B. Dong, Y. Huang, and W. Lu, Effects of lattice strain and ion displacement on the bonding mechanism of the The geometric structure influence on the ferromagnetism in Carbon-doped anatase TiO2: First-principles study. Solid State Comm. 2009, 149, 1717.

1.  H. B. Shu, G. C. Zhou, Z. L. Zhong, L. Z. Sun*, J. B. Wang, X. S. Chen, and Y. C. Zhou*, Effects of lattice strain and ion displacement on the bonding mechanism of the ferroelectric perovskite material BaTiO3: First-principles study. J. Phys.: Condens. Matter 2007, 19, 276213.