All Stories

  1. First-principles study on the magnetic properties of β-Ti68.75Nb25X6.25 (X=Mo, Sn, Ta, Zr, Fe) alloys

    Article • AIP Advances, June 2019, American Institute of Physics

    Professor Lizhong Sun

  2. A constitutive model coupling irradiation with two-phase lithiation for lithium-ion battery electrodes

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, January 2019, Taylor & Francis

    Professor Lizhong Sun, Professor Z. S. Ma

  3. Magnetic control of single transition metal doped MoS2 through H/F chemical decoration

    Article • Journal of Magnetism and Magnetic Materials, January 2017, Elsevier

    Professor Lizhong Sun

  4. 3d Transition Metal Adsorption Induced the valley-polarized Anomalous Hall Effect in Germanene

    Article • Scientific Reports, June 2016, Nature

    Professor Lizhong Sun

  5. Dead layer effect and its elimination in ferroelectric thin film with oxide electrodes

    Article • Acta Materialia, June 2016, Elsevier

    Professor Lizhong Sun

  6. High-temperature behavior of monolayer graphyne and graphdiyne

    Article • Carbon, April 2016, Elsevier

    Professor Lizhong Sun

  7. Prediction of two planar carbon allotropes with large meshes

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Lizhong Sun

  8. High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

    Article • Journal of Materials Chemistry C, January 2016, Royal Society of Chemistry

    Professor Lizhong Sun

  9. Hydroxylated graphyne and graphdiyne: First-principles study

    Article • Applied Surface Science, January 2016, Elsevier

    Professor Lizhong Sun

  10. Two-dimensional tricycle arsenene with a direct band gap

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Lizhong Sun

  11. Strain control of the electronic structures, magnetic states, and magnetic anisotropy of Fe doped single-layer MoS2

    Article • Computational Materials Science, December 2015, Elsevier

    Professor Lizhong Sun

  12. A first-principles study of oxygen vacancy induced changes in structural, electronic and magnetic properties of La2/3Sr1/3MnO3

    Article • Journal of Alloys and Compounds, November 2015, Elsevier

    Professor Lizhong Sun

  13. Reduction mechanism of hydroxyl group from graphene oxide with and without –NH2 agent

    Article • Physica B Condensed Matter, November 2015, Elsevier

    Professor Lizhong Sun

  14. Tunneling magnetoresistance based on a Cr/graphene/Cr magnetotunnel junction

    Article • Chinese Physics B, November 2015, Institute of Physics Publishing

    Professor Lizhong Sun

  15. Electronic and transmission properties of magnetotunnel junctions of cobalt/iron intercalated bilayer two dimensional sheets

    Article • Physics Letters A, October 2015, Elsevier

    Professor Lizhong Sun

  16. Anisotropic optical properties of graphene/graphane superlattices

    Article • Solid State Sciences, February 2015, Elsevier

    Professor Lizhong Sun

  17. Prediction of half-semiconductor antiferromagnets with vanishing net magnetization

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Lizhong Sun

  18. Stability of two-dimensional PN monolayer sheets and their electronic properties

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Lizhong Sun

  19. Stable configurations and electronic structures of hydrogenated graphyne

    Article • Computational Materials Science, August 2014, Elsevier

    Professor Lizhong Sun

  20. Spin Switch of the Transition-Metal-Doped Boron Nitride Sheet through H/F Chemical Decoration

    Article • The Journal of Physical Chemistry C, May 2014, American Chemical Society (ACS)

    Professor Lizhong Sun

  21. Transport properties of graphene/metal planar junction

    Article • Physics Letters A, March 2014, Elsevier

    Professor Lizhong Sun

  22. Magnetic Exchange Coupling and Anisotropy of 3d Transition Metal Nanowires on Graphyne

    Article • Scientific Reports, February 2014, Nature

    Professor Lizhong Sun

  23. Effective Fermi level tuning of Bi2Se3 by introducing CdBi/CaBi dopant

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Lizhong Sun

  24. Carbon nanotube oscillators encapsulating a platinum nanocluster: A molecular dynamics study

    Article • Physica E Low-dimensional Systems and Nanostructures, December 2013, Elsevier

    Professor Lizhong Sun

  25. A molecular dynamics study of the Si-nanowire@carbon-nanotube nanocomposite with sp3 interfacial bonding

    Article • Computational Materials Science, November 2013, Elsevier

    Professor Lizhong Sun

  26. Surface work function of chemically derived graphene: A first-principles study

    Article • Physics Letters A, October 2013, Elsevier

    Professor Lizhong Sun

  27. Electronic properties of graphene on the C-decorated Si(111) surface: An ab initio study

    Article • Current Applied Physics, September 2013, Elsevier

    Professor Lizhong Sun

  28. Hydrogen–Te antisite complex impurity (H–TeHg) in Hg0.75Cd0.25Te: First-principles study

    Article • Journal of Physics and Chemistry of Solids, August 2013, Elsevier

    Professor Lizhong Sun

  29. First-principles study of native point defects in Bi2Se3

    Article • AIP Advances, May 2013, American Institute of Physics

    Professor Lizhong Sun

  30. Low energy three-dimensional hydrocarbon crystal from cold compression of benzene

    Article • Journal of Physics Condensed Matter, April 2013, Institute of Physics Publishing

    Professor Lizhong Sun

  31. Tunable differential conductance of single wall C/BN nanotube heterostructure

    Article • Journal of Molecular Modeling, April 2013, Springer Science + Business Media

    Professor Lizhong Sun

  32. Stability, electronic structures and transport properties of armchair (10, 10) BN/C nanotubes

    Article • Journal of Solid State Chemistry, April 2013, Elsevier

    Professor Lizhong Sun

  33. Electric and Magnetic Manipulation in Graphene Absorption by the Electric Field

    Article • Journal of Computational and Theoretical Nanoscience, March 2013, American Scientific Publishers

    Professor Lizhong Sun

  34. Nanoindentation models and Young's modulus of monolayer graphene: A molecular dynamics study

    Article • Applied Physics Letters, February 2013, American Institute of Physics

    Professor Lizhong Sun

  35. Two viable three-dimensional carbon semiconductors with an entirely sp2configuration

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Lizhong Sun

  36. Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations

    Article • The Journal of Physical Chemistry C, December 2012, American Chemical Society (ACS)

    Professor Lizhong Sun

  37. Size effect of half-metallic properties of BN/C hybrid nanoribbons

    Article • Physica B Condensed Matter, December 2012, Elsevier

    Professor Lizhong Sun

  38. Effects of contact oxidization on the transport properties of Au/ZGNR junctions

    Article • physica status solidi (RRL) - Rapid Research Letters, November 2012, Wiley

    Professor Lizhong Sun

  39. Transport properties of zigzag graphene nanoribbons with oxygen edge decoration

    Article • Organic Electronics, November 2012, Elsevier

    Professor Lizhong Sun

  40. Prediction of superhard carbon allotropes from the segment combination method

    Article • Journal of Superhard Materials, November 2012, Allerton Press

    Professor Lizhong Sun

  41. Structure, stability, and motion of dislocations in double-wall carbon nanotubes

    Article • Chinese Physics B, October 2012, Institute of Physics Publishing

    Professor Lizhong Sun

  42. Structure, stability and electronic properties of tricycle type graphane

    Article • physica status solidi (RRL) - Rapid Research Letters, September 2012, Wiley

    Professor Lizhong Sun

  43. Structures, stability and electronic properties of two- or four-segment BN/C nanotubes

    Article • August 2012, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Lizhong Sun

  44. New superhard carbon phases between graphite and diamond

    Article • Solid State Communications, August 2012, Elsevier

    Professor Lizhong Sun

  45. Hydrogenated graphene: Structures and surface work function

    Article • August 2012, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Lizhong Sun

  46. Zigzag graphene nanoribbons: Flexible and robust transparent conductors

    Article • Solid State Sciences, June 2012, Elsevier

    Professor Lizhong Sun

  47. Molecular dynamics study of temperature-dependent ripples in monolayer and bilayer graphene on 6H—SiC surfaces

    Article • Chinese Physics B, June 2012, Institute of Physics Publishing

    Professor Lizhong Sun

  48. Modulation effect of hydrogen and fluorine decoration on the surface work function of BN sheets

    Article • AIP Advances, May 2012, American Institute of Physics

    Professor Lizhong Sun

  49. Structural, electronic and magnetic properties of single transition-metal adsorbed BN sheet: A density functional study

    Article • Chemical Physics Letters, April 2012, Elsevier

    Professor Lizhong Sun

  50. Effects of oxygen-containing defect complex on the electronic structures and transport properties of single-walled carbon nanotubes

    Article • Physics Letters A, April 2012, Elsevier

    Professor Lizhong Sun

  51. Transport properties of hybrid graphene/graphane nanoribbons

    Article • Applied Physics Letters, March 2012, American Institute of Physics

    Professor Lizhong Sun

  52. A DFT-LDA study of electronic and optical properties of hexagonal boron nitride under uniaxial strain

    Article • Computational Materials Science, March 2012, Elsevier

    Professor Lizhong Sun

  53. Four superhard carbon allotropes: a first-principles study

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Lizhong Sun

  54. Z-BN: a novel superhard boron nitride phase

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Lizhong Sun

  55. Work Functions of Boron Nitride Nanoribbons: First-Principles Study

    Article • Journal of Computational and Theoretical Nanoscience, January 2012, American Scientific Publishers

    Professor Lizhong Sun

  56. Anisotropic interactions and strain-induced topological phase transition in Sb 2 Se 3 and Bi 2 Se 3

    Article • Physical Review B, December 2011, American Physical Society (APS)

    Professor Lizhong Sun

  57. Transport Properties of Zigzag Graphene Nanoribbons Decorated by Carboxyl Group Chains

    Article • The Journal of Physical Chemistry C, November 2011, American Chemical Society (ACS)

    Professor Lizhong Sun

  58. Hydrogen passivation and multiple hydrogen–Hg vacancy complex impurities (nH–VHg, n = 1,2,3,4) in Hg0.75Cd0.25Te

    Article • Journal of Applied Physics, September 2011, American Institute of Physics

    Professor Lizhong Sun

  59. Transport Properties of Hybrid Zigzag Graphene and Boron Nitride Nanoribbons

    Article • The Journal of Physical Chemistry C, June 2011, American Chemical Society (ACS)

    Professor Lizhong Sun

  60. Direct or indirect semiconductor: The role of stacking fault in h-BN

    Article • Physica B Condensed Matter, May 2011, Elsevier

    Professor Lizhong Sun

  61. Tunneling Magnetoresistance of Bilayer Hexagonal Boron Nitride and Its Linear Response to External Uniaxial Strain

    Article • The Journal of Physical Chemistry C, April 2011, American Chemical Society (ACS)

    Professor Lizhong Sun

  62. Electronic structures and optical properties of hexagonal boron nitride under hydrostatic pressures

    Article • Journal of Applied Physics, April 2011, American Institute of Physics

    Professor Lizhong Sun

  63. Configuration and electronic properties of graphene nanoribbons on Si(211) surface

    Article • Applied Surface Science, January 2011, Elsevier

    Professor Lizhong Sun

  64. First-Principles Study of the Initial Growth Stages of Carbon Chain on Ni(111) Surface

    Article • Journal of Computational and Theoretical Nanoscience, October 2010, American Scientific Publishers

    Professor Lizhong Sun

  65. Novel transport properties of gold-single wall carbon nanotubes composite contacts

    Article • Journal of Applied Physics, September 2010, American Institute of Physics

    Professor Lizhong Sun

  66. Nucleation effect of Sia of 6H–SiC-(0001)–(√3×√3)R30° surface: First-principles study

    Article • Physica B Condensed Matter, September 2010, Elsevier

    Professor Lizhong Sun

  67. Strain Effects on Electronic Properties of Boron Nitride Nanoribbons

    Article • Chinese Physics Letters, July 2010, Institute of Physics Publishing

    Professor Lizhong Sun

  68. Transport properties of corrugated graphene nanoribbons

    Article • Applied Physics Letters, April 2010, American Institute of Physics

    Professor Lizhong Sun

  69. Resonant transmission in three-terminal triangle graphene nanojunctions with zigzag edges

    Article • Solid State Communications, April 2010, Elsevier

    Professor Lizhong Sun

  70. The effect of corner form on electron transport of L-shaped graphene nanoribbons

    Article • Physica B Condensed Matter, June 2009, Elsevier

    Professor Lizhong Sun

  71. Bonding mechanism and relaxation energy of (): First-principles study

    Article • Journal of Physics and Chemistry of Solids, March 2009, Elsevier

    Professor Lizhong Sun

  72. Binding energy of hydrogen–Cd vacancy complex in CdTe

    Article • Physics Letters A, February 2009, Elsevier

    Professor Lizhong Sun

  73. Electronic properties of the Au impurity in : First-principles study

    Article • Physica B Condensed Matter, January 2009, Elsevier

    Professor Lizhong Sun

  74. Molecular dynamics study of ripples in graphene nanoribbons on 6H-SiC(0001): Temperature and size effects

    Article • Journal of Applied Physics, December 2008, American Institute of Physics

    Professor Lizhong Sun

  75. Thermal decomposition behaviour of RDX by first-principles molecular dynamics simulation

    Article • Molecular Simulation, September 2008, Taylor & Francis

    Professor Lizhong Sun

  76. Asymmetric transport in asymmetric T-shaped graphene nanoribbons

    Article • Applied Physics Letters, September 2008, American Institute of Physics

    Professor Lizhong Sun

  77. Evolution of the bonding mechanism of ZnO under isotropic compression: A first-principles study

    Article • Physica B Condensed Matter, August 2008, Elsevier

    Professor Lizhong Sun

  78. First-principle study on bonding mechanism of ZnO by LDA+U method

    Article • Physics Letters A, August 2007, Elsevier

    Professor Lizhong Sun

  79. Composition-dependent electronic properties, optical transitions, and anionic relaxations ofCd1−xZnxTealloys from first principles

    Article • Physical Review B, July 2007, American Physical Society (APS)

    Professor Lizhong Sun

  80. Electronic properties and chemical trends of the arsenic in situ impurities in Hg 1 − x Cd x Te : First-principles study

    Article • Physical Review B, July 2007, American Physical Society (APS)

    Professor Lizhong Sun

  81. Effects of lattice strain and ion displacement on the bonding mechanism of the ferroelectric perovskite material BaTiO 3 : first-principles study

    Article • Journal of Physics Condensed Matter, June 2007, Institute of Physics Publishing

    Professor Lizhong Sun

  82. Ferroelectric and dielectric properties of Nd3+∕Zr4+ cosubstituted Bi4Ti3O12 thin films

    Article • Applied Physics Letters, March 2007, American Institute of Physics

    Professor Lizhong Sun

  83. Effects of carrier degeneracy and conduction band non-parabolicity on the simulation of HgCdTe photovoltaic devices

    Article • Infrared Physics & Technology, March 2007, Elsevier

    Professor Lizhong Sun

  84. Improved ferroelectric properties of bismuth titanate films by Nd and Mn cosubstitution

    Article • Applied Physics Letters, January 2007, American Institute of Physics

    Professor Lizhong Sun

  85. Formation Energy of Arsenic Impurities in MCT: First-Principles Study

    Article • September 2006, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Lizhong Sun

  86. Relaxations and bonding mechanism of arsenic in-situ impurities in MCT: first-principles study

    Article • Transactions of Nonferrous Metals Society of China, August 2006, Elsevier

    Professor Lizhong Sun

  87. Erratum: “Raman scattering and high temperature ferromagnetism of Mn-doped ZnO nanoparticles” [Appl. Phys. Lett. 88, 252502 (2006)]

    Article • Applied Physics Letters, July 2006, American Institute of Physics

    Professor Lizhong Sun

  88. Raman scattering and high temperature ferromagnetism of Mn-doped ZnO nanoparticles

    Article • Applied Physics Letters, June 2006, American Institute of Physics

    Professor Lizhong Sun

  89. The influence of the additional confining potentials on ferromagnetism in III–V digital ferromagnetic heterostructures

    Article • Journal of Applied Physics, June 2006, American Institute of Physics

    Professor Lizhong Sun

  90. Relaxations and bonding mechanism in Hg 1 − x Cd x Te with mercury vacancy defect: First-principles study

    Article • Physical Review B, May 2006, American Physical Society (APS)

    Professor Lizhong Sun

  91. Non-Hodgkin Lymphoma: What Primary Care Professionals Need to Know

    Article • The Journal for Nurse Practitioners, May 2006, Elsevier

    Professor Lizhong Sun

  92. FERROMAGNETISM IN Co-DOPED TiO 2 ANATASE DUE TO THE COBALT CLUSTERING

    Article • International Journal of Modern Physics B, July 2005, World Scientific Pub Co Pte Lt

    Professor Lizhong Sun

  93. First principle study on the bonding mechanism of nanoring structure Ga8As8

    Article • The European Physical Journal D, July 2005, Springer Science + Business Media

    Professor Lizhong Sun

  94. Structural and electronic properties of the in situ impurity As Hg in Hg 0.5 Cd 0.5 Te : First-principles study

    Article • Physical Review B, May 2005, American Physical Society (APS)

    Professor Lizhong Sun

  95. Structural and magnetic properties of ultrathin bcc Fe films on Ge(001)

    Article • Journal of Physics D Applied Physics, March 2005, Institute of Physics Publishing

    Professor Lizhong Sun

  96. Ferromagnetism of 3d-impurities substituted in Ge

    Article • Journal of Magnetism and Magnetic Materials, December 2004, Elsevier

    Professor Lizhong Sun

  97. Nanoring structure and optical properties of Ga8As8

    Article • Chemical Physics Letters, November 2003, Elsevier

    Professor Lizhong Sun

  98. Electronic band structure of Nb doped SrTiO3 from first principles calculation

    Article • Physics Letters A, October 2003, Elsevier

    Professor Lizhong Sun