recent publications（2012-2015）

1. Molecular beam epitaxy-grown SnSe in the rock-salt structure: an artificial topological crystalline insulator material

Advanced Materials (2015, in press).

Zhenyu Wang, Jianfeng Wang, Yunyi Zang, Qinghua Zhang, Jin-An Shi, Tian Jiang, Yan Gong, Can-Li Song, Shuai-Hua Ji, LiLi Wang, Lin Gu, Ke He, Wenhui Duan, Xucun Ma, Xi Chen, and Qi-Kun Xue

2. Tunable Magnetism in Transition Metal Decorated Phosphorene

The Journal of Physical Chemistry C 119, (2015 in press).

Xuelei Sui, Chen Si, Bin Shao, Xiaolong Zou, Jian Wu, Bing-Lin Gu, and Wenhui Duan

3. Enhanced thermoelectric figure of merit in thin GaAs nanowires

Nanoscale 7, 8776-8781 (2015)

Xiaolong Zou, Xiaobin Chen, Huaqing Huang, Yong Xu, and Wenhui Duan

4. Tailoring Native Defects and Zinc Impurities in Li4Ti5O12: Insights from First-Principles Study

The Journal of Physical Chemistry C 119 (9), 5238-5245 (2015).

Huan Duan, Jia Li, Hongda Du, Sum Wai Chiang, Chengjun Xu, Wenhui Duan, and Feiyu Kang

5. Robust gapless surface state and Rashba-splitting bands upon surface deposition of magnetic Cr on Bi2Se3

Nano Letters 15, 2031-2036 (2015)

Eryin Wang, Peizhe Tang, Guoliang Wan, Alexei V. Fedorov, Ireneusz Miotkowski, Yong P. Chen, Wenhui Duan, and Shuyun Zhou

6. Quantum Unfolding: A program for unfolding electronic energy bands of materials

Computer Physics Communications 189, 213 (2015)

Fawei Zheng, Ping Zhang, and Wenhui Duan

7. 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

8. Prediction of a stable post-post-perovskite structure from first principles

Physical Review B 91, 020101(R) (2015).

Changsong Xu, Bin Xu, Yurong Yang, Huafeng Dong, Artem R. Oganov, Shanying Wang, Wenhui Duan, Binglin Gu, and L. Bellaiche

9. Nontrivial Z2 Topology in Bismuth-based III-V Compounds

Physical Review B 90, 195105 (2014).

Huaqing Huang, Jianpeng Liu, and Wenhui Duan

10. 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

11. 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

12. 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

13. 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

14. 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

15. Anomalous properties of antiferroelectric PbZrO3 under hydrostatic pressure

S. Prosandeev, Changsong Xu, R. Faye, Wenhui Duan, H. Liu, B. Dkhil, P.-E. Janolin, Jorge í？iguez, and L. Bellaiche

Physical Review B 89, 214111 (2014).

16. Thermal and Thermoelectric Properties of Graphene

Small 10, 2182 (2014).

Yong Xu, Zuanyi Li, and Wenhui Duan

17. 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

18. Effect of Chemical and Hydrostatic Pressures on 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

19. 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

20. Tunable anisotropic thermal conduction in graphane nanoribbons

Applied Physics Letters 104, 143108 (2014).

Dengfeng Li, Yong Xu, Xiaobin Chen, Bolin Li, and Wenhui Duan

21. 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

22. 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

23. 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

24. 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

25. Realizing the quantum anomalous Hall effect in materials with in-plane magnetization

National Science Review 1 (1), 33 (2014).

Peizhe Tang and Wenhui Duan

26. Weak topological insulators in PbTe/SnTe superlattices

Physical Review B 89, 085312 (2014).

Gang Yang, Junwei Liu, Liang Fu, Wenhui Duan, and Chaoxing Liu

27. 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

28. 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

29. 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

30. 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

31. 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

32. Two types of surface states in topological crystalline insulators

Physical Review B 88, 241303(R) (2013).

Junwei Liu, Wenhui Duan, and Liang Fu

33. 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

34. Interlayer interactions in graphites

Scientific Reports 3, 3046 (2013).

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

35. 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

36. 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

37. 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

38. On the 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.

39. 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

40. 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

41. 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

42. 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

43. 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

44. 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

45. 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

46. 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

47. Photon-assisted thermoelectric properties of noncollinear spin valves

Physical Review B 87, 085427 (2013)

Xiaobin Chen, Dongping Liu, Wenhui Duan, and Hong Guo

48. The existence/absence of Dirac cones in graphynes

New Journal of Physics 15, 023004 (2013)

Huaqing Huang, Wenhui Duan and Zhirong Liu [selected for inclusion in the exclusive 'Highlights of 2013' collection]

49. 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

50. Electronic Strengthening of Graphene by Charge Doping

Physical Review Letters 109, 226802 (2012).

Chen Si, Wenhui Duan, Zheng Liu, and Feng Liu

51. 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

52. 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

53. 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

54. 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

55. 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

56. 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))

57. 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

58. 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

59. Interface engineering of epitaxial graphene on SiC(0001) via fluorine intercalation: A first principles study

Applied Physics Letters 100, 103105 (2012)

Chen Si, Gang Zhou, Yuanchang Li, Jian Wu, and Wenhui Duan

60. 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

61. 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

62. 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

63. 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