Surface Structures & Surface Reactions



XU Research Group

Sustech           Sustech
Home Members Research Publications Highlights Openings Teaching

Selected Publications

(* denotes corresponding author)

    2024

  1. "Diverse degeneracy types in topological phonons: A perspective", P. Y. Qin, G. Liu, P. Wu, and H. Xu*, Appl. Phys. Lett. 124, 030502 (2024).

    2. 2023

  2. "Generalized Octet Rule with Fractional Occupancies for Boron", S. G. Xu, C. C. He, Y. J. Zhao, X. B. Yang, and H. Xu*, J. Am. Chem. Soc. 145, 25003–25009 (2023).
  3. "Self-surfactant effect in graphene growth on Pt(111)", X. X. Dong, C. C. He, C. He, X. W. Liang, S. G. Xu, and H. Xu*, Phys. Rev. B 108, 125425 (2023).
  4. "Roles of Topological Surface States and Spin-Orbit Coupling in Catalytic Activity on Topological Insulators", X. T. Hu, C. M. Zhao, X. Huang, C. He, and H. Xu*, Phys. Rev. Applied 20, 024062 (2023).
  5. "Paired charge-2 Weyl-Dirac phonons in tetragonal crystals", P. Wu, G. Liu, X. T. Hu, and H. Xu*, Phys. Rev. B 108, 054305 (2023).
  6. "Toward hidden materials with directional bonds", S. G. Xu, X. T. Li, Z. J. Chen, C. C. He, C. He, X. B. Yang, and H. Xu*, Phys. Rev. Materials 7, 084202 (2023).
  7. "Niobium and rhenium doping in MoSe2 monolayer during molecular beam epitaxy: Shallow dopants and defect proliferation", J. Q. Zhang, Y. P. Xia, Z. B. Yu, X. Y. Yue, Y. J. Jin, M. F. Yuan, Y. Feng, B. Li, B. Wang, W. K. Ho, C. Liu, H. Xu, C. H. Jin, M. H. Xie*, APL Mater. 11, 071113 (2023).
  8. "Understanding Oxygen Evolution Mechanisms by Tracking Charge Flow at the Atomic Level", C. M. Zhao, H. Tian, Z. G. Zou, H. Xu*, and S. Y Tong*, iScience 26, 107037 (2023).
  9. "Realization of practical eightfold fermions and fourfold van Hove singularity in TaCo2Te2", H. T. Rong, Z. Q. Huang, X. Zhang, S. Kumar, F. Y. Zhang, C. C. Zhang, Y. Wang, Z. Y. Hao, Y. Q. Cai, L.e Wang, C. Liu, X. M. Ma, S. Guo, B. Shen, Y. Liu, S. T. Cui, K. Shimada, Q. S. Wu, J. H. Lin, Y. G. Yao, Z. W. Wang*, H. Xu*, and C. Y. Chen* npj Quantum Mater. 8, 29 (2023).
  10. "NiO Matrix Decorated by Ru Single Atoms: Electron-Rich Ru-Induced High Activity and Selectivity toward Electrochemical N2 Reduction", X. Huang, J. Wang, C. M. Zhao, L. G. Gan, and H. Xu*, J. Phys. Chem. Lett. 14, 3785–3793 (2023).
  11. "Wafer-scale single-crystalline MoSe2 and WSe2 monolayers grown by molecular-beam epitaxy at low-temperature — the role of island-substrate interaction and surface steps", Y. P. Xia, D. G. Ding, K. Xiao, J. Q. Zhang, S. G. Xu, D. L. He, X. Y. Yue, Q. Rao, X. Wang, S. J. Ding, G. Y. Gao, H. X. Xue, Y. Y. Wang, M. F. Yuan, W. K. Ho, D. K. Ki, H. Xu, X. D. Cui, C. H. Jin*, M. H. Xie*, Nat. Sci. 3, 20220059 (2023).
  12. "Step-guided epitaxial growth of blue phosphorene on vicinal Ag(111)", C. He, S. G. Xu, X. X. Dong, C. C. He, X. T. Hu, G. Liu, and H. Xu*, Phys. Rev. Materials 7, 034003 (2023).
  13. "Activation of CO2 by Direct Cleavage Triggered by Photoelectrons on Rutile TiO2(110)", C. M. Zhao and H. Xu*, J. Phys. Chem. Lett. 14, 1928–1933 (2023).
  14. "The surface charge induced high activity of oxygen reduction reaction on the PdTe2 bilayer", X. Huang, J. Wang, C. M. Zhao, L. Y. Gan, and H. Xu*, Phys. Chem. Chem. Phys. 25, 4105-4112 (2023).

    15. 2022

  15. "Identifying the alloy structures of germanene grown on Al (111)", F. N. Yan, S. G. Xu, C. He, C. C. He, C. M. Zhao, and H. Xu*, Phys. Rev. B 106, 075405 (2022).
  16. "Coexistence of charge-2 Dirac and Weyl phonons in chiral space groups", G. Liu, Z. Huang, Z. Chen, Y. Jin, C. He, and H. Xu*, Phys. Rev. B 106, 054306 (2022).
  17. "Arsenic Monolayers Formed by Zero-Dimensional Tetrahedral Clusters and One-Dimensional Armchair Nanochains", G. Liu, S. G. Xu, Y. Ma*, X. Shao, W. Xiong, X. Wu, S. Zhang, C. Liao, C. Chen, X. Wang, S. Yuan, W. Zhang, J. Lu, H. Xu*, K. D. Wang*, X. D. Xiao*, ACS Nano 16, 17087 (2022).
  18. "Triple hourglass Weyl phonons", G Liu, Z Chen, P Wu, and H. Xu*, Phys. Rev. B 106, 214308 (2022).
  19. "High Stability and Inoxidizability of Monolayer Topological Insulator ZrTe5", W. P. Xu, J. Lu, S. S. Cao, Z. J. Chen, Z. J. Xie*, and H. Xu*, J. Phys. Chem. C 126, 16069 (2022).
  20. "Five-fold symmetry in Au–Si metallic glass", C. C. He, S. G. Xu, S. B. Qiu, C. He, Y. J. Zhao, X. B. Yang*, and H. Xu*, Nanoscale 14, 12757 (2022).
  21. "Rational design of highly efficient MXene-based catalysts for the water-gas-shift reaction", Z. Zhang, B. B. Zheng, H. Tian, Y. L. He, X. Huang, S. Ali, and H. Xu*, Phys. Chem. Chem. Phys. 24, 18265 (2022).
  22. "Straightforward strategy for selecting and tuning substrates for two-dimensional material epitaxy", C. He, S. G. Xu, C. C. He, X. X. Dong, F. N. Yan, X. T. Hu, and H. Xu*, Phys. Rev. Materials 6, 064011 (2022).
  23. "Metal-phosphorus network on Pt(111)", J. Q. Zhang, X. X. Dong, S. G. Xu, Y. P. Xia, W. K. Ho, H. Xu*, and M. H. Xie*, 2D Mater. 9, 045002 (2022).
  24. "Holes as Catalysts for CO Photo-Oxidation on Rutile TiO2(110)", C. M. Zhao and H. Xu*, J. Phys. Chem. C 126, 6564–6569 (2022).
  25. "Porous aza-doped graphene-analogous 2D material a unique catalyst for CO2 conversion to formic-acid by hydrogenation and electroreduction approaches", S. Ali*, G. Yasin, R. Iqbal, X. Huang, J. Su, S. Ibraheem, Z. Zhang, X. Q. Wu, F. Wahid, P. M. Ismail, L. Qiao*, and H. Xu*, Mol. Catal. 524, 112285 (2022).
  26. "Hybrid nodal-ring phonons with hourglass dispersion in AgAlO2", Z. J. Chen, Z. J. Xie, Y. J. Jin, G. Liu, and H. Xu*, Phys. Rev. Materials 6, 034202 (2022).
  27. "Electrically modulated anomalous phase shift in Andreev bound states mediated by chiral Majorana modes", Yong Xu, Pei-Hao Fu, Lei Chen, Jun-Feng Liu*, Jun Wang*, and H. Xu*, Phys. Rev. B 105, 075409 (2022).
  28. "Type-II quadratic and cubic Weyl fermions", Y. J. Jin, Y. Xu, Z. J. Chen, and H. Xu*, Phys. Rev. B 105, 035141 (2022).

    29. 2021

  29. "High Anisotropic Optoelectronics in Two Dimensional Layered PbSnX2 (X = S/Se)", W. P. Xu, Z. J. Xie, J. Su, R. Wang, X. Z. Wu*, and H. Xu*, J. Phys. Chem. Lett. 12, 10574–10580 (2021).
  30. "Single Iridium Atom Doped Ni2P Catalyst for Optimal Oxygen Evolution", Q. Wang, Z. Zhang, C. Cai, M. Y Wang, Z. L. Zhao, M. H. Li, X. Huang, S. B. Han, H. Zhou, Z. X. Feng, L. Li, J. Li, H. Xu, J. S. Francisco*, and M. Gu*, J. Am. Chem. Soc. 143, 13605–13615 (2021).
  31. "Stability and Catalytic Performance of Single-Atom Supported on Ti2CO2 for Low-Temperature CO Oxidation: A First-Principles Study", S. Ali, Z. J. Xie, and H. Xu*, ChemPhysChem 22, 2352–2361(2021).
  32. "Developing Proton-Conductive Metal Coordination Polymer as Highly Efficient Electrocatalyst toward Oxygen Reduction", X. Huang, L. Y. Gan, J. Wang, S. Ali, C. C. He, and H. Xu*, J. Phys. Chem. Lett. 12, 9197–9204 (2021).
  33. "Anchoring an Fe Dimer on Nitrogen-Doped Graphene toward Highly Efficient Electrocatalytic Ammonia Synthesis", Z. Zhang, X. Huang, and H. Xu*, ACS Appl. Mater. Interfaces 13, 43632–43640 (2021).
  34. "Classification and materials realization of topologically robust nodal ring phonons", R. Y. Wang, Z. J. Chen, Z. Q. Huang, B. W. Xia, and H. Xu*, Phys. Rev. Materials 5, 084202 (2021).
  35. "Symmetry-enforced straight nodal-line phonons", G. Liu, Y. J. Jin, Z. J. Chen, and H. Xu*, Phys. Rev. B 104, 024304 (2021).
  36. "Three-Dimensional Dirac Phonons with Inversion Symmetry", Z. J. Chen, R. Wang, B. W. Xia, B. B. Zheng, Y. J. Jin, Y. J. Zhao*, and H. Xu*, Phys. Rev. Lett. 126, 185301 (2021).
  37. "Avoiding Sabatier's conflict in bifunctional heterogeneous catalysts for the WGS reaction", H. Tian, Y. L. He, Q. L. Zhao, J. X. Li, X. J. Shao, Z. Zhang, X. Huang, C. Lu, K. D. Wang, Q. C. Jiang, A. M. C. Ng, H. Xu*, and S. Y. Tong*, Chem 7, 1271-1283 (2021).
  38. "Boosting oxygen evolution reaction by enhanced intrinsic activity in Ruddlesden−Popper iridate oxides", C. H. Zhu, H. Tian, B. Huang, G. H. Cai, C. Y. Yuan, Y. T. Zhang, Y. L. Li, G. Q. Li, H. Xu*, and M. R. Li*, Chem. Eng. J. 423, 130185 (2021).
  39. "All-boron planar ferromagnetic structures: from clusters to monolayers", C. C. He, S. G. Xu, Y. J. Zhao, H. Xu*, and X. B. Yang*, Nanoscale 13, 9881-9887 (2021).
  40. "Giant magnetoresistance effect due to the tunneling between quantum anomalous Hall edge states", Y. Xu, J. Wang, J. F. Liu*, and H. Xu*, Appl. Phys. Lett. 118, 222401 (2021).
  41. "Unconventional line defects engineering in two-dimensional boron monolayers", S. G. Xu, C. C. He, Y. J. Zhao, H. Xu*, and X. B. Yang*, Phys. Rev. Materials 5, 044003 (2021).
  42. "Highly Degenerate Ground States in a Frustrated Antiferromagnetic Kagome Lattice in a Two-Dimensional Metal–Organic Framework", M. Q. Hua, B. W. Xia, M. Wang, E. Li, J. Liu, T. H. Wu, Y. F. Wang, R. N. Li, H. H. Ding, J. Hu, Y. F. Wang, J. F. Zhu, H. Xu, W. Zhao*, and N. Lin*, J. Phys. Chem. Lett. 12, 3733–3739 (2021).
  43. "Structural Evolution and Underlying Mechanism of Single-Atom Centers on Mo2C(100) Support during Oxygen Reduction Reaction", X. Huang, J. Wang, J. J. Gao, Z. Zhang, L. Y. Gan, and H. Xu*, ACS Appl. Mater. Interfaces 13, 17075–17084 (2021).
  44. "Highly efficient H2 generation over Cu2Se decorated CdS0.95Se0.05 nanowires by photocatalytic water reduction", S. W. Du, G. J. Li, X. Lin, S. Y. Zhang, H. Xu*, and P. F. Fang*, Chem. Eng. J. 409, 128157 (2021).
  45. "Tunable double Weyl phonons driven by chiral point group symmetry", Y. J. Jin, Z. J. Chen, X. L. Xiao, and H. Xu*, Phys. Rev. B 103, 104101 (2021).
  46. "Evidence of Weyl fermions in ɑ-RuCl3", Y. Wang, Y. J. Jin, L. Wang, Z. Y. Hao, C. Liu, Y. J. Hao, X. M. Ma, S. Kumar, E. F. Schwier, K. Shimada, C. Liu, J. W. Mei, H. Xu*, and C. Y. Chen*, Phys. Rev. B 103, 035150 (2021).
  47. "Dual Defect-Passivation Using Phthalocyanine for Enhanced Efficiency and Stability of Perovskite Solar Cells", Q. K. Hu, E. Rezaee, W. P. Xu, R. Ramachandran, Q. Chen, H. Xu, T. EL-Assaad, D. V. McGrath*, and Z. X. Xu*, Small 17, 2005216 (2020).

    48. 2020

  48. "Single-layer Mo5Te8? A new polymorph of layered transition-metal chalcogenide", J. Q. Zhang, Y. P. Xia, B. Wang, Y. J. Jin, H. Tian, W. K. Ho, H. Xu, and C. H. Jin, and M. H. Xie*, 2D Mater. 8, 015006 (2020).
  49. "Hybridization-induced gapped and gapless states on the surface of magnetic topological insulators",X. M. Ma, Z. J. Chen, E. F. Schwier, Y. Zhang, Y. J. Hao, S. Kumar, R. Lu, J. F. Shao, Y. J. Jin, M. Zeng, X. R. Liu, Z. Y. Hao, K. Zhang, W. Mansuer, C. Y. Song, Y. Wang, B. Y. Zhao, C. Liu, K. Deng, J. W. Mei, K. Shimada, Y. Zhao, X. J. Zhou, B. Shen*, W. Huang*, C. Liu*, H. Xu, and C. Y. Chen*, Phys. Rev. B 102, 245136 (2020).
  50. "Intrinsic Ferromagnetic Semiconductors in Two-Dimensional Alkali-Based Chromium Chalcogenides", W. P. Xu, S. Ali, Y. J. Jin, X. Z. Wu*, and H. Xu*, ACS Appl. Electron. Mater. 2, 3853–3858 (2020).
  51. "Boosting the oxygen evolution reaction using defect-rich ultra-thin ruthenium oxide nanosheets in acidic media", Z. L. Zhao, Q. Wang, X. Huang, Q. Feng, S. Gu, Z. Zhang, H. Xu*, L. Zeng*, M. Gu*, and H. Li*, Energy Environ. Sci. 13, 5143-5151 (2020).
  52. "Axial Modification of Cobalt Complexes on Heterogeneous Surface with Enhanced Electron Transfer for Carbon Dioxide Reduction", J. Wang, X. Huang, S. B. Xi, H. Xu, and X. Wang*, Angew.Chem. Int. Ed. 59,19162–19167 (2020).
  53. "Symmetry-Assisted Protection and Compensation of Hidden Spin Polarization in Centrosymmetric Systems", Y. J. Zhang, P. F. Liu, H. Y. Sun, S. X. Zhao, H. Xu, and Q. H. Liu*, Chin. Phys. Lett. 37, 087105 (2020).
  54. "Two-Dimensional Dirac Semimetals without Inversion Symmetry", Y. J. Jin, B. B. Zheng, X. L. Xiao, Z. J. Chen, Y. Xu, and H. Xu*, Phys. Rev. Lett. 125, 116402 (2020).
  55. "Dirac fermions in the antiferromagnetic spintronics material CuMnAs", S. G. Xu, Z. J. Chen, X. B. Chen, Y. J. Zhao, H. Xu*, and X. W. Zhang*, Phys. Rev. B 102, 125123 (2020).
  56. "Unraveling the oxide layer on Mo2C as the active center for hydrogen evolution reaction", X. Huang, J. Wang, H. B. Tao, H. Tian, Z. Zhang, and H. Xu*, J. Catal. 389, 461-467(2020).
  57. "Charge Density Modulation and the Luttinger Liquid State in MoSe2 Mirror Twin Boundaries", Y. P. Xia, J. Q. Zhang, Y. J. Jin, W. K. Ho, H. Xu, and M. H. Xie*, ACS Nano 14, 10716–10722(2020).
  58. "Weyl fermions in ferromagnetic high-temperature phase of K2Cr8O16", J. Z. Zhao, Y. J. Jin, R. Wang, B. W. Xia, and H. Xu*, New J. Phys. 22, 073062 (2020).
  59. "Three-terminal Weyl complex with double surface arcs in a cubic lattice", Z. Q. Huang, Z. J. Chen, B. B. Zheng, and H. Xu*, npj Computational Materials 6, 87 (2020).
  60. "Surface Adsorption and Vacancy in Tuning the Properties of Tellurene", W. P. Xu, L. Y. Gan, R. Wang, X. Z. Wu*, and H. Xu*, ACS Appl. Mater. Interfaces 12, 19110–19115 (2020).
  61. "The effect of DMPO on the formation of hydroxyl radicals on the rutile TiO2(110) surface", Y. H. Lei, X. Huang, C. M. Zhao, Y. J. Jin and H. Xu*, Phys. Chem. Chem. Phys. 22, 13129-13135 (2020).
  62. "Realizing graphene-like Dirac cones in triangular boron sheets by chemical functionalization", S. G. Xu, Z. J. Chen, Y. J. Zhao, X. W. Zhang*, H. Xu*, and X. B. Yang*, J. Mater. Chem. C 8, 2798-2805 (2020).
  63. "On-Surface Cascade Reaction Based on Successive Debromination via Metal–Organic Coordination Template", S. P. Xing, Z. Zhang, H. F. Liang, B. J. Sun, H. Xu, J. Fan*, Y. Q. Ma*, and Z. L. Shi*, Langmuir 36, 6286–6291 (2020).
  64. "Topological Quantum States in Magnetic Oxides", R. Wang*, Y. J. Jin, B. W. Xia, and H. Xu*, J. Phys. Chem. Lett. 11, 4036-4042 (2020).
  65. "Ultrahigh-Loading of Ir Single Atoms on NiO Matrix to Dramatically Enhance Oxygen Evolution Reaction", Q. Wang, X. Huang, Z. L. Zhao, M. Y. Wang, B. Xiang, J. Li, Z. X. Feng*, H. Xu*, and M. Gu*, J. Am. Chem. Soc. 142, 7425-7433 (2020).
  66. "Strain-tunable out-of-plane polarization in two-dimensional materials", J. Z. Zhao, L. C. Chen, B. Xu, B. B. Zheng, J. Fan, and H. Xu*, Phys. Rev. B 101, 121407(R) (2020).
  67. "Ideal type-III nodal-ring phonons", B. B. Zheng, B. W. Xia, R. Wang, Z. J. Chen, J. Z. Zhao, Y. J. Zhao, and H. Xu*, Phys. Rev. B 101, 100303(R) (2020).
  68. "Symmetry-Protected Topological Triangular Weyl Complex", R. Wang, B. W. Xia, Z. J. Chen, B. B. Zheng, Y. J. Zhao, and H. Xu*, Phys. Rev. Lett. 124, 105303 (2020).
  69. "Robust Topological States in Bi2Se3 against Surface Oxidation", J. L. Yang, B. B. Zheng, Z. J. Chen, W. P. Xu, R. Wang*, and H. Xu*, J. Phys. Chem. C 124, 6253-6259 (2020).
  70. "CoSe2 modified Se-decorated CdS nanowire Schottky heterojunctions for highly efficient photocatalytic hydrogen evolution", S. W. Du, X. Lin, C. H. Li, G. J. Li, B. B. Zheng, Y. Liu, H. Xu*, and P. F. Fang* Chem. Eng. J. 389, 124431 (2020).
  71. "Quantum Confined Tomonaga–Luttinger Liquid in Mo6Se6 Nanowires Converted from an Epitaxial MoSe2 Monolayer", Y. P. Xia, B. Wang, J. Q. Zhang, Y. J. Jin, H. Tian, W. K. Ho, H. Xu, C. H. Jin*, and M. H. Xie*, Nano Lett. 20, 2094-2099 (2020).
  72. "On-surface Synthesis of a Semiconducting 2D Metal–Organic Framework Cu3(C6O6) Exhibiting Dispersive Electronic Bands", R. Zhang, J. Liu, Y. F. Gao, M. Q. Hua, B. W. Xia, P. Knecht, A. C. Papageorgiou, J. Reichert, J. V. Barth, H. Xu, L. Huang*, and N. Lin*, Angew. Chem. Int. Ed. 59, 2669-2673 (2020).
  73. "Two-Dimensional Metal-Phosphorus Network", H. Tian, J. Q. Zhang, W. K. Ho, J. P. Xu, B. W. Xia, Y. P. Xia, J. Fan, H. Xu*, M. H. Xie*, and S. Y. Tong*, Matter 2, 111-118 (2020).
  74. "A Shallow Acceptor of Phosphorous Doped in MoSe2 Monolayer", Y. P. Xia, J. Q. Zhang, Z. B. Yu, Y. J. Jin, H. Tian, Y. Feng, B. Li, W. K. Ho, C. Liu, H. Xu, C. H. Jin, and M. H. Xie* Adv. Electron. Mater. 1900830 (2020).
  75. "Sub-3 nm Intermetallic Ordered Pt3In Clusters for Oxygen Reduction Reaction", Q. Wang, Z. L. Zhao, Z. Zhang, T. L. Feng, R. Y. Zhong, H. Xu*, S. T. Pantelides, and M. Gu* Adv. Sci. 7, 1901279 (2020).

    76. 2019

  76. "Asymmetric valley polarization and photoluminescence in MoS2/MoO3 heterostructure", W. B. Shi, J. He, Q. X. Li, X. C. She, D. Wang, H. Jing, R. L. Zhang*, J. Z. Zhao, R. W. Peng*, H. Xu, and M. Wang*, Opt. Express 27, 38451-38462 (2019).
  77. "Single Fe atoms anchored by short-range ordered nanographene boost oxygen reduction reaction in acidic media", S. Q. Chen, N. J. Zhang, C. N. Villarrubia, X. Huang, L. Xie, X. Y. Wang, X. D. Kong, H. Xu, G. Wu, J. Zeng, and H. L. Wang* Nano Energy 66, 104164 (2019).
  78. "Enhanced visible-light-driven photocatalytic hydrogen generation using NiCo2S4/CdS nanocomposites", C. H. Li, S. W. Du, H. M. Wang*, S. B. Naghadeh, A. Allen, X. Lin, G. J. Li, Y. Liu, H. Xu, C, Q, He, J. Z. Zhang, and P. F. Fang* Chem. Eng. J. 378, 122089 (2019).
  79. "Versatile and Highly Efficient Controls of Reversible Topotactic Metal–Insulator Transitions through Proton Intercalation", S. Q. Chen, H. P. Zhou, X. Ye, Z. H. Chen, J. Z. Zhao, S. Das, C. Klewe, L. Zhang, E. Lupi, P. Shafer, E. Arenholz, D. Jin, H. L. Huang, Y. L. Lu, X. W. Li, M. Wu, S. M. Ke, H. Xu, X. R. Zeng, C. W. Huang*, L. W. Martin, and L. Chen Adv. Funct. Mater. 29, 1907072 (2019).
  80. "Identifying Multinuclear Organometallic Intermediates in On‐Surface [2+2] Cycloaddition Reactions", R. Zhang, B. W. Xia, H. Xu, and N. Lin* Angew. Chem. Int. Ed. 58, 16485–16489 (2019).
  81. "Rational Design Principles of the Quantum Anomalous Hall Effect in Superlatticelike Magnetic Topological Insulators", H. Y. Sun, B. W. Xia, Z. J. Chen, Y. J. Zhang, P. F. Liu, Q. S. Yao, H. Tang, Y. J. Zhao, H. Xu, and Q. H. Liu*, Phys. Rev. Lett. 123, 096401 (2019).
  82. "Kinetically Controlled Synthesis of Four‐ and Six‐Member Cyclic Products via Sequential Aryl‐Aryl Coupling on a Au(111) Surface", R. Zhang, B. W. Xia, H. Xu, and N. Lin* ChemPhysChem 20, 2292–2296 (2019).
  83. "Surface‐Dependent Chemoselectivity in C−C Coupling Reactions", Z, Chen, T. Lin, L. D. Zhang, L. Zhang, B. X. Xiang, H. Xu, F. Klappenberger, J. V. Barth, S. Klyatskaya, and M. Ruben* Angew. Chem. Int. Ed. 58, 8356–8361 (2019).
  84. "Multiphotoluminescence from a Triphenylamine Derivative and Its Application in White Organic Light‐Emitting Diodes Based on a Single Emissive Layer", X. M. Li, J. S. Cui, Q. K. Ba, Z. Zhang, S. Q. Chen, G. X. Yin, Y. Wang, B. B. Li, G. H. Xiang, K. S. Kim, H. Xu, Z. Y. Zhang, and H. L. Wang* Adv. Mater. 31, 1900613 (2019).
  85. "Two-Dimensional Li-Based Ternary Chalcogenides for Photocatalysis", W. P. Xu, R. Wang, B. B. Zheng, X. Z. Wu*, and H. Xu*, J. Phys. Chem. Lett. 10, 6061-6066 (2019).
  86. "New Family of Two-Dimensional Group-(II3–V2) Photoelectric Materials", W. P. Xu, R. Wang, Y. J. Jin, X. Z. Wu*, and H. Xu*, J. Phys. Chem. C 123, 16851-16856 (2019).
  87. "Symmetry-Protected Ideal Type-II Weyl Phonons in CdTe", B. W. Xia, R. Wang, Z. J. Chen, Y. J. Zhao, and H. Xu*, Phys. Rev. Lett. 123, 065501 (2019).
  88. "Tunable ferromagnetic Weyl fermions from a hybrid nodal ring", B. B. Zheng, B. W. Xia, R. Wang, J. Z. Zhao, Z. J. Chen, Y. J. Zhao, and H. Xu*, npj Computational Materials 5, 74 (2019).
  89. "NiSe2 as Co-Catalyst with CdS: Nanocomposites for High-Performance Photodriven Hydrogen Evolution under Visible-Light Irradiation", S. W. Du, C. H. Li, X. Lin, W. P. Xu, X. Huang, H. Xu*, and P. F. Fang*, ChemPlusChem 84, 999-1010 (2019).
  90. "New Family of Two-Dimensional Ternary Photoelectric Materials", W. P. Xu, R. Wang, B. B. Zheng*, X. Z. Wu*, and H. Xu*, ACS Appl. Mater. Interfaces 11, 14457-14462 (2019).
  91. "Insights into the Unusual Semiconducting Behavior in Low-Dimensional Boron", S. G. Xu, X. T. Li, Y. J. Zhao, W. P. Xu, J. H. Liao, X. W. Zhang, H. Xu* and X. B. Yang*, Nanoscale 11, 7866-7874 (2019).
  92. "Robust Twin Pairs of Weyl Fermions in Ferromagnetic Oxides", B. W. Xia, Y. J. Jin, J. Z. Zhao, Z. J. Chen, B. B. Zheng, Y. J. Zhao, R. Wang*, and H. Xu*, Phys. Rev. Lett. 122, 057205 (2019).
  93. "Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer", S. G. Xu, B. B. Zheng*, H. Xu*, and X. B. Yang*, J. Phys. Chem. C 123, 4977−4983 (2019).
  94. "An essential descriptor for the oxygen evolution reaction on reducible metal oxide surfaces", X. Huang, J. Wang, H. B. Tao, H. Tian, and H. Xu*, Chem. Sci. 10, 3340-3345 (2019).
  95. "Selective on-surface covalent coupling based on metal-organic coordination template", S. P. Xing, Z. Zhang, X. Y. Fei, W. Zhao, R. Zhang, T. Lin, D. L. Zhao, H. X. Ju, H. Xu*, J. Fan*, J. F. Zhu, Y. Q. Ma*, and Z. L. Shi*, Nat. Commun. 10, 70 (2019).

    96. 2018

  96. "Stabilizing and Organizing Bi3Cu4 and Bi7Cu12 Nanoclusters in Two-Dimensional Metal–Organic Networks", L. H. Yan, B. W. Xia, Q. S. Zhang, G. W. Kuang, H. Xu, J. Liu, P. N. Liu*, and N. Lin*, Angew. Chem. Int. Ed. 57, 4617–4621 (2018).
  97. "Ideal intersecting nodal ring phonons in a body-centered cubic C8", Y. J. Jin, Z. J. Chen, B. W. Xia, Y. J. Zhao, R. Wang*, and H. Xu*, Phys. Rev. B 98, 220103(R) (2018).
  98. "Large-gap quantum anomalous Hall phase in hexagonal organometallic frameworks", Y. J. Jin, Z. J. Chen, B. W. Xia, Y. J. Zhao, R. Wang*, and H. Xu*, Phys. Rev. B 98, 245127 (2018).
  99. "Recipe for Dirac Phonon States with a Quantized Valley Berry Phase in Two-Dimensional Hexagonal Lattices", Y. J. Jin, R. Wang*, and H. Xu*, Nano Lett. 18, 7755-7760 (2018).
  100. "Topological Rashba-like edge states in large-gap quantum spin Hall insulators", Y. J. Jin, L. Y. Gan, R. Wang, J. Z. Zhao, Y. Y. Shan, Junfeng Liu,*, and H. Xu*, Phys. Rev. Mater. 2, 114207 (2018).
  101. "Extremely High Mobilities in Two-Dimensional Group-VA Binary Compounds with Large Conversion Efficiency of Solar Cell", W. P. Xu, Y. J. Jin, B. B. Zheng*, and H. Xu*, J. Phys. Chem. C 122, 27590-27596 (2018).
  102. "Oxidation-Induced Topological Phase Transition in Monolayer 1T’-WTe2", J. L. Yang, Y. J. Jin, W. P. Xu, B. B. Zheng*, R. Wang*, and H. Xu*, J. Phys. Chem. Lett. 9, 4783-4788 (2018).
  103. "Three-dimensional quantum anomalous Hall effect in ferromagnetic insulators", Y. J. Jin, R. Wang, B. W. Xia, B. B. Zheng, and H. Xu*, Phys. Rev. B 98, 081101(R) (2018).
  104. "Electron Compensation Mechanism for Polymorphism of Boron Monolayers", S. G. Xu, X. T. Li, Y. J. Zhao, J. H. Liao, H. Xu*, and X. B. Yang*, Nanoscale 10, 13410-13416 (2018).
  105. "Adsorption Induced Indirect-to-Direct Band Gap Transition in Monolayer Blue Phosphorus", W. P. Xu, J. Z. Zhao* and H. Xu*, J. Phys. Chem. C 122, 15792-15798 (2018).
  106. "Ferromagnetic Weyl fermions in CrO2", R. Wang, Y. J. Jin, J. Z. Zhao, Z. J. Chen, Y. J. Zhao, and H. Xu*, Phys. Rev. B 97, 195157 (2018).
  107. "Nodal line fermions in magnetic oxides", R. Wang, J. Z. Zhao, Y. J. Jin, Y. P. Du, Y. X. Zhao*, H. Xu*, and S. Y. Tong*, Phys. Rev. B 97, 241111(R) (2018).
  108. "Controlling the Reaction Steps of Bifunctional Molecules 1,5-Dibromo-2,6-dimethylnaphthalene on Different Substrates", J. Liu, B. W. Xia, H. Xu, and N. Lin*, J. Phys. Chem. C 122, 13001-13008 (2018).
  109. "The Intrinsic Role of Excess Electrons in Surface Reactions on Rutile TiO2 (110): Using Water and Oxygen as Probes", H. Tian, B. Xu, J. Fan and H. Xu*, J. Phys. Chem. C 122, 8270–8276 (2018).
  110. "Controllable dissociation of H2O on CeO2 (111) surface", J. Fan, B. Xu, J. Z. Zhao and H. Xu*, Phys. Chem. Chem. Phys. 20, 1575-1582 (2018).
  111. "Role of surface adsorption in tuning the properties of black phosphorus", W. P. Xu and H. Xu*, Phys. Chem. Chem. Phys. 20, 112-117 (2018).
  112. "Facile synthesis of SnO2 hierarchical porous nanosheets from graphene oxide sacrificial scaffolds for high-performance gas sensors", C. H. Zhao, H. M. Gong, W. Z. Lan, R. Ramachandran, H. Xu, S. Liu*, and F. Wang*, Sens. Actuator B-Chem. 258, 492-500 (2018).
  113. "Tunable magnetism in the LaAlO3/SrTiO3 heterostructure: Insights from first-principles calculations", Y. B. Xue, J. Z. Zhao, Y. Y. Shan, and H. Xu*, Physica E 98, 120-124 (2018).
  114. "The role of boundary conditions in tuning the electronic properties of the (001) LaAlO3/SrTiO3 interface", Y. B. Xue, Y. Y. Shan, and H. Xu*, Comput. Mater. Sci. 149, 354-359 (2018).
  115. "Heterolytic dissociative adsorption state of dihydrogen favored by interfacial defects", Z. J. Song, H. S. Hu, H. Xu, Y. Li, P. Cheng, and B. Zhao*, Appl. Surf. Sci. 433, 862-868 (2018).
  116. "Visible light driven selective oxidation of amines to imines with BiOCl: Does oxygen vacancy concentration matter?", C. L. Mao, H. G. Cheng, H. Tian, H. Li, W. J. Xiao, H. Xu, J. C. Zhao, L. Z. Zhang*, Appl. Catal. B:Environ. 228, 87-96 (2018).
  117. "Turning copper metal into a Weyl semimetal", Y. P. Du, E. J. Kan, H. Xu, S. Y. Savrasov*, and X. G. Wan*, Phys. Rev. B 97, 245104 (2018).

    118. 2017

  118. "Two-Dimensional Semiconducting Boron Monolayers", S. G. Xu, X. T. Li, Y. J. Zhao, J. H. Liao, W. P. Xu, X. B. Yang*, and H. Xu*, J. Am. Chem. Soc. 139, 17233-17236 (2017).
  119. "Ferromagnetic Weyl semimetal phase in a tetragonal structure", Y. J. Jin, R. Wang, Z. J. Chen, J. Z. Zhao, Y. J. Zhao, and H. Xu*, Phys. Rev. B 96, 201102(R) (2017).
  120. "A (001) dominated conjugated polymer with high-performance of hydrogen evolution under solar light irradiation", J. Zhou, Y. H. Lei, C. H. Ma, W. H. Lv, N. Li, Y. Wang*, H. Xu*, and Z. G. Zou* Chem. Commun. 53, 10536 (2017).
  121. "First-principles Study on the Initial Decomposition Process of CH3NH3PbI3", Y. B. Xue, Y. Y. Shan, and H. Xu*, J. Chem. Phys. 147, 124702 (2017).
  122. "Recipe for generating Weyl semimetals with extended topologically protected features", R. Wang, J. Z. Zhao, Y. J. Jin, W. X. Xu, L.-Y. Gan, X. Z. Wu, H. Xu*, and S. Y. Tong, Phys. Rev. B 96, 121104(R) (2017).
  123. "The Prediction of a Family Group of Two-dimensional Node-Line Semimetals", Y. J. Jin, R. Wang, J. Z. Zhao, Y. P. Du, C. D. Zheng, L. Y. Gan, J. F. Liu, H. Xu*, and S. Y. Tong*, Nanoscale 9, 13112 (2017).
  124. "High Reactivity of the ZnO(0001) Polar Surface: The Role of Oxygen Adatoms", Y. Liu, W. P. Xu, Y. Y. Shan, and H. Xu*, J. Phys. Chem. C 121, 15711-15718 (2017).
  125. "Mechanically-Controlled Reversible Spin Crossover of Single Fe-porphyrin Molecules", G. W. Kuang, Q. S. Zhang, T. Lin, R. Pang, X. Q. Shi, H. Xu, and N. Lin*, ACS Nano 11, 6295 (2017).
  126. "Stable sandwich structures of two-dimensional iron borides FeBx alloy: a first-principles calculation", S. G. Xu, Y. J. Zhao, X. B. Yang*, and H. Xu*, RSC Advances 7, 30320-30326 (2017).
  127. "A Practical Criterion for Screening Stable Boron Nanostructures", S. G. Xu, Y. J. Zhao, X. B. Yang*, and H. Xu*, J. Phys. Chem. C 121, 11950 (2017).
  128. "“Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces” Reply", J. Z. Zhao, W. Fan, M. J. Verstraete, Z. Zanolli, J. Fan, X. B. Yang, H. Xu*, and S. Y. Tong*, Phys. Rev. Lett. 118, 239602 (2017).
  129. "Quantum Effects and Phase Tuning in Epitaxial Hexagonal and Monoclinic MoTe2 Monolayers", J. L. Chen, G. Y. Wang, Y. N. Tang, H. Tian, J. P. Xu, X. Q. Dai, H. Xu, J. F. Jia, W. K. Ho, and M. H. Xie*, ACS Nano 11, 3282 (2017).
  130. "Phonon-mediated superconductivity in Mg intercalated bilayer borophenes", J. H. Liao, Y. C. Zhao, Y. J. Zhao, H. Xu, and X. B. Yang*, Phys. Chem. Chem. Phys. 19, 29237 (2017).
  131. "One-dimensional phosphorus chain and two-dimensional blue phosphorene grown on Au(111) by molecular-beam epitaxy", J. P. Xu, J. Q. Zhang, H. Tiao, H. Xu, W. K. Ho, and M. H. Xie*, Phys. Rev. Mater. 1, 061002(R) (2017).
  132. "Remarkably Strong Chemisorption of Nitric Oxide on Insulating Oxide Films Promoted by Hybrid Structure", Z. J. Song, B. Zhao*, H. Xu, and P. Cheng*, J. Phys. Chem. C 121, 21482–21490 (2017).
  133. "Properties of rare-earth iron garnets from first principles", R. Nakamoto, B. Xu*, C. S. Xu, H. Xu, and L. Bellaiche*, Phys. Rev. B 95, 024434 (2017).
  134. "Emergence of topological nodal loops in alkaline-earth hexaborides XB6 (X = Ca, Sr, and Ba) under pressure", L-Y. Gan, R. Wang, Y. J. Jin, D. B. Ling, J. Z. Zhao, W. P. Xu, J. F. Liu*, and H. Xu*, Phys. Chem. Chem. Phys. 19, 8210 (2017).
  135. "Splitting methanol on ultra-thin MgO(100) films deposited on a Mo substrate", Z. J. Song and H. Xu*, Phys. Chem. Chem. Phys. 19, 7245 (2017).

    136. 2016

  136. "The enhancement of surface reactivity on CeO2 (111) mediated by subsurface oxygen vacancies", J. Fan, C. Y. Li, J. Z. Zhao, Y. Y. Shan, and H. Xu*, J. Phys. Chem. C 120, 27917 (2016).
  137. "Observation and analysis of ordered and disordered structures on the ZnO(0001) polar surface", H. Xu, L. Dong, X. Q. Shi, Y. Liu, M. A. Van Hove, N. Lin, and S. Y. Tong*, J. Phys. Chem. C 120, 26915 (2016).
  138. "Surface Reactivity Enhancement by O2 Dissociation on a Single-layer MgO Film Deposited on Metal Substrate", C. Q. Li, J. Fan, B. Xu, and H. Xu*, J. Chem. Phys. 145, 164701 (2016).
  139. "High-coverage stable structures of 3d transition metal intercalated bilayer graphene", J. H. Liao, Y. J. Zhao, J. J. Tang, X. B. Yang*, H. Xu*, Phys. Chem. Chem. Phys. 18, 14244-14251 (2016).
  140. "Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces", J. Z. Zhao, W. Fan, M. J. Verstraete, Z. Zanolli, J. Fan, X. B. Yang, H. Xu*, and S. Y. Tong*, Phys. Rev. Lett. 117, 116101 (2016).
  141. "Size-, electric-field-, and frequency-dependent third-order nonlinear optical properties of hydrogenated silicon nanoclusters", H. P. Li*, H. Xu, X. P. Shen, K. Han*, Z. T. Bi, R. F. Xu, Sci. Rep. 6, 28067 (2016) .
  142. "New approaches for calculating absolute surface energies of wurtzite (0001)/(000-1): A study of ZnO and GaN", J. Z. Zhang, Y. O. Zhang, K. F. Tse, B. Deng, H. Xu, and J. Y. Zhu*, J. Appl. Phys. 119, 205302 (2016).
  143. "The nucleation and growth of borophene on the Ag (111) surface", S. G. Xu, Y. J. Zhao, J. H. Liao, X. B. Yang*, and H. Xu*, Nano Res. 9, 2616 (2016).
  144. "Generation of highly reactive oxygen species on metal-supported MgO(100) thin films", Z. J. Song, J. Fan, Y. Y. Shan*, A. M. C. Ng*, and H. Xu*, Phys. Chem. Chem. Phys. 18, 25373 (2016).
  145. "Controllable dissociations of PH3 molecules on Si(001)", Q. Liu, Y. H. Lei, X. J. Shao, F. F. Ming, H. Xu, K. D. Wang*, X. D. Xiao*, Nanotechnology 27, 135704 (2016).
  146. "Unusual dissociative adsorption of H-2 over stoichiometric MgO thin film supported on molybdenum", Z. J. Song* and H. Xu*, Appl. Surf. Sci. 366, 166-172 (2016).
  147. "Strain-induced water dissociation on supported ultrathin oxide films", Z. J. Song, J. Fan, and H. Xu*, Sci. Rep. 6, 22853 (2016).

    148. 2015

  148. "Comment on "Interplay between Water and TiO2 Anatase (101) Surface with Subsurface Oxygen Vacancy"", J. Fan, J. Z. Zhao, H. Xu*, and S. Y. Tong, Phys. Rev. Lett. 115, 149601 (2015).

    149. 2014

  149. "Theoretical studies of geometry asymmetry in tellurium nanostructures: intrinsic dipole, charge separation, and semiconductor–metal transition", Y. M. Tan, Y. J. Zhao, L. B. Luo, X. B. Yang*, and H. Xu*, RSC Adv. 4, 44004 (2014).
  150. "Stabilizing forces acting on ZnO polar surfaces: STM, LEED, and DFT", H. Xu, L. Dong, X. Q. Shi, M. A. Van Hove, W. K. Ho, N. Lin, H. S. Wu, and S. Y. Tong*, Phys. Rev. B 89, 235403 (2014).

    151. 2013

  151. "Comparative optical study of colloidal anatase titania nanorods and atomically thin wires", A. S. Susha, A. A. Lutich, C. M. Liu, H. Xu, R. Q. Zhang, Y. C. Zhong, K. S. Wong, S. H. Yang, and A. L. Rogach*, Nanoscale 5, 1465 (2013).
  152. "Antibacterial and photocatalytic activity of TiO2 and ZnO nanomaterials in phosphate buffer and saline solution", A. M. C. Ng, C. M. N. Chan, M. Y. Guo, Y. H. Leung, A. B. Djurisic*, H. Xu, W. K. Chan, F. C. C. Leung, and S. Y. Tong, Appl. Microbiol Biotechnol 97, 5565 (2013).
  153. "Tuning the electronic and magnetic properties of zigzag silicene nanoribbons by edge hydrogenation and doping", D. Q. Fang*, S. L. Zhang, H. Xu, RSC Adv. 3, 24075 (2013).
  154. "Theoretical studies of the passivants' effect on the SixGe1-x nanowires: Composition profiles, diameter, shape, and electronic properties", X. B. Yang*, Y. J. Zhao, and H. Xu*, J. Chem. Phys. 139, 154713 (2013).
  155. "Interaction of O2 with reduced rutile TiO2(110) surface", H. Xu and S. Y. Tong*, Surf. Sci. 610, 33 (2013).

    156. 2012

  156. "Theoretical investigation of structural stability and electronic properties of hydrogenated silicon nanocrystals: Size, shape, and surface reconstruction", H. D. Lu, Y. J. Zhao, X. B. Yang*, and H. Xu*, Phys. Rev. B 86, 085440 (2012).
  157. "Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces", X. Q. Shi, H. Xu, M. A. Van Hove*, N. H. Moreira, A. L. Rosa, and T. Frauenheim, Surf. Sci. 606, 289 (2012).

    158. 2011

  158. "Ground states of group-IV nanostructures: Magic structures of diamond and silicon nanocrystals", X. B. Yang*, Y. J. Zhao, H. Xu, and B. I. Yakobson*, Phys. Rev. B 83, 205314 (2011).
  159. "Splitting Water on Metal Oxide Surfaces", H. Xu, R. Q. Zhang, A. M. C. Ng, A. B. Djurisic, H. T. Chan, W. K. Chan, and S. Y. Tong*, J. Phys. Chem. C 115, 19710 (2011).

    160. Before Joining SUSTech

  160. "Surface Defects-Induced p-type Conduction of Silicon Nanowires", L. B. Luo, X. B. Yang, F. X. Liang, H. Xu, Y. Zhao, X. Xie, W. F. Zhang, S. T. Lee*, J. Phys. Chem. C 115, 18453 (2011).
  161. "Stabilizing and activating dopants in < 112 > silicon nanowires by alkene adsorptions: A first-principles study", H. Xu, X. B. Yang, C. Zhang, A. J. Lu, and R. Q. Zhang*, Appl. Phys. Lett. 98, 073115 (2011).
  162. "Surface Passivation-Induced Strong Ferromagnetism of Zinc Oxide Nanowires", S. P. Huang, H. Xu, I. Bello, and R. Q. Zhang*, Chem. Eur. J. 16, 13072 (2010).
  163. "Tuning Electronic Structures of ZnO Nanowires by Surface Functionalization: A First-Principles Study", S. P. Huang, H. Xu, I. Bello, and R. Q. Zhang*, J. Phys. Chem. C 114, 8861 (2010).
  164. "First-principles calculations of atomic and electronic properties of ZnO nanostructures", H. Xu, W. Fan, D. Fang, A. L. Rosa*, T. Frauenheim, and R. Q. Zhang, Phys. Status Solidi B 247, 2581 (2010).
  165. "Interaction of O-2, H2O, N-2, and O-3 with stoichiometric and reduced ZnO(10(1)over-bar0) surface", H. Xu, R. Q. Zhang, and S. Y. Tong*, Phys. Rev. B 82, 155326 (2010).
  166. "N-doped ZnO nanowires: Surface segregation, the effect of hydrogen passivation and applications in spintronics", H. Xu, A. L. Rosa*, T. Frauenheim, and R. Q. Zhang, Phys. Status Solidi B 247, 2581 (2010).
  167. "An energetic stability predictor of hydrogen-terminated Si nanostructures", H. Xu, X. B. Yang, C. S. Guo, and R. Q. Zhang*, Appl. Phys. Lett. 95, 253106 (2009).
  168. "First-principles study of silicon bulk and nanowire (111) surfaces terminated with trihydrides: Symmetric, rotated, and tilted", H. Xu, X. H. Zhang, and R. Q. Zhang*, Phys. Rev. B 80, 075428 (2009).
  169. "Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study", H. Xu, W. Fan, A. L. Rosa*, R. Q. Zhang*, and T. Frauenheim, Phys. Rev. B 79, 073402 (2009).
  170. "First-Principles Study of the Structural Stability and Electronic Properties of ZnS Nanowires", H. Xu, Y. Li, A. L. Rosa, T. Frauenheim, and R. Q. Zhang*, J. Phys. Chem. C 112, 20291 (2008).
  171. "First-principles study of the size-dependent structural and electronic properties of thick-walled ZnO nanotubes", H. Xu, F. Zhan, A. L. Rosa, T. Frauenheim, and R. Q. Zhang*, Solid State Commun. 148, 534 (2008).
  172. "First-principles calculations of reconstructed [0001] ZnO nanowires", W. Fan, H. Xu, A. L. Rosa*, T. Frauenheim, and R. Q. Zhang, Phys. Rev. B 76, 073302 (2007).
  173. "Structural and electronic properties of ZnO nanotubes from density functional calculations", H. Xu, R. Q. Zhang*, X. H. Zhang, A. L. Rosa, and T. Frauenheim, Nanotechnology 18, 485713 (2007).
  174. "Density-functional theory calculations of bare and passivated triangular-shaped ZnO nanowires", H. Xu, A. L. Rosa*, T. Frauenheim, R. Q. Zhang, and S. T. Lee, Appl. Phys. Lett. 91, 031914 (2007).
Department of Physics
Southern University of Science and Technology, Shenzhen 518055, China
Tel: (86) 755-8801-8210
Email: xuh@sustc.edu.cn