All Stories

  1. High-pressure-induced electronic and structural transition of superatoms

    Article • The Journal of Chemical Physics, June 2023, American Institute of Physics

    Professor Zhigang Wang

  2. The electron density delocalization of hydrogen bond systems

    Article • Advances in Physics X, January 2018, Taylor & Francis

    Professor Zhigang Wang

  3. Actinide endohedral boron clusters: A closed-shell electronic structure of U@B40

    Article • Nano Research, August 2017, Tsinghua University Press

    Professor Zhigang Wang

  4. The self-consistent charge density functional tight-binding theory study of carbon adatoms using tuned Hubbard U parameters

    Article • International Journal of Quantum Chemistry, November 2016, Wiley

    Professor Zhigang Wang

  5. Chirality recognition in concerted proton transfer process for prismatic water clusters

    Article • Nano Research, August 2016, Tsinghua University Press

    Professor Zhigang Wang

  6. Actinide-embedded gold superatom models: Electronic structure, spectroscopic properties, and applications in surface-enhanced Raman scattering

    Article • Nano Research, January 2016, Tsinghua University Press

    Professor Zhigang Wang

  7. Electronic delocalization in small water rings

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

    Professor Zhigang Wang

  8. Water film inside graphene nanosheets: electron transfer reversal between water and graphene via tight nano-confinement

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

    Professor Zhigang Wang

  9. A strong charge-transfer effect in surface-enhanced Raman scattering induced by valence electrons of actinide elements

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

    Professor Zhigang Wang

  10. U@C28: the electronic structure induced by the 32-electron principle

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

    Professor Zhigang Wang

  11. Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube

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

    Professor Zhigang Wang

  12. The ground state and electronic structure of Gd@C82: A systematic theoretical investigation of first principle density functionals

    Article • The Journal of Chemical Physics, December 2014, American Institute of Physics

    Professor Zhigang Wang

  13. Stable electronic structures of a defective uranofullerene

    Article • Carbon, November 2014, Elsevier

    Professor Zhigang Wang

  14. De Novo Design of an Endohedral Heteronuclear Dimetallofullerene (UGd)@C60with Exceptional Structural and Electronic Properties

    Article • ChemPhysChem, September 2014, Wiley

    Professor Zhigang Wang

  15. Structural and electronic properties of uranium-encapsulated Au14 cage

    Article • Scientific Reports, July 2014, Springer Science + Business Media

    Professor Zhigang Wang

  16. Carbon nanotubes adsorb U atoms differently in their inner and outer surfaces

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

    Professor Zhigang Wang

  17. Environmental-Confinement-Induced Stability Enhancement of Chiral Molecules

    Article • ChemPhysChem, June 2014, Wiley

    Professor Zhigang Wang

  18. The mechanism of N–Ag bonding determined tunability of surface-enhanced Raman scattering of pyridine on MAg (M = Cu, Ag, Au) diatomic clusters

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Zhigang Wang

  19. Defect-induced strong localization of uranium dicarbide on the graphene surface

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Zhigang Wang

  20. Effect of ligands on the characteristics of (CdSe)13quantum dots

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

    Professor Zhigang Wang

  21. A unique feature of chiral transition of a difluorobenzo[c]phenanthrene molecule confined in a boron-nitride nanotube based on molecular dynamics simulations

    Article • Chemical Physics Letters, January 2014, Elsevier

    Professor Zhigang Wang

  22. Strong Adsorption Between Uranium Dicarbide and Graphene Surface Induced by f Electrons

    Article • The Journal of Physical Chemistry C, December 2013, American Chemical Society (ACS)

    Professor Zhigang Wang

  23. Basis set effect on defect induced spin polarization of a carbon nanotube in density functional theory calculations

    Article • Chemical Physics Letters, October 2013, Elsevier

    Professor Zhigang Wang

  24. Adsorptive separation of ethylene/ethane mixtures using carbon nanotubes: a molecular dynamics study

    Article • Journal of Physics D Applied Physics, September 2013, Institute of Physics Publishing

    Professor Zhigang Wang

  25. Chemical Mechanism and Tunability of Surface-Enhanced Raman Scattering of Pyridine on Heteronuclear Coinage Metal Diatomic Clusters: A Density Functional Study

    Article • The Journal of Physical Chemistry C, June 2013, American Chemical Society (ACS)

    Professor Zhigang Wang

  26. Structure, magnetic, and electronic properties of hydrogenated two-dimensional diamond films

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

    Professor Zhigang Wang

  27. Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Zhigang Wang

  28. Anomalous stability of graphene containing defects covered by a water layer

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Zhigang Wang

  29. HYPERCONJUGATION EFFECT ON THE STRUCTURAL STABILITY OF A TERT-BUTYL AND ITS DERIVED C 4 H n (n = 4–10) ISOMERS

    Article • Journal of Theoretical and Computational Chemistry, December 2012, World Scientific Pub Co Pte Lt

    Professor Zhigang Wang

  30. Cover Picture: Enantiomerization Mechanism of Thalidomide and the Role of Water and Hydroxide Ions (Chem. Eur. J. 45/2012)

    Article • Chemistry - A European Journal, October 2012, Wiley

    Professor Zhigang Wang

  31. Enantiomerization Mechanism of Thalidomide and the Role of Water and Hydroxide Ions

    Article • Chemistry - A European Journal, October 2012, Wiley

    Professor Zhigang Wang

  32. Layer number-dependent structural evolution of two-dimensional diamond films

    Article • Chemical Physics Letters, October 2012, Elsevier

    Professor Zhigang Wang

  33. Density Functional Theoretical Analysis of the Molecular Structural Effects on Raman Spectra ofβ-Carotene and Lycopene

    Article • Chinese Journal of Chemistry, October 2012, Wiley

    Professor Zhigang Wang

  34. Characteristic Vibrational Modes and Electronic Structures of Carbon Nanotubes Containing Defects

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

    Professor Zhigang Wang

  35. Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations

    Article • The Journal of Chemical Physics, January 2012, American Institute of Physics

    Professor Zhigang Wang

  36. Strong interactions and charge transfers between a charged benzene molecule and multilayer graphenes

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Zhigang Wang

  37. PHYSISORPTION TO CHEMISORPTION TRANSFORMATION OF A H 2 MOLECULE ON B-DOPED FULLERENE C 59 B

    Article • Journal of Theoretical and Computational Chemistry, December 2011, World Scientific Pub Co Pte Lt

    Professor Zhigang Wang

  38. Interactions between free radicals and a graphene fragment: Physical versus chemical bonding, charge transfer, and deformation

    Article • Journal of Computational Chemistry, August 2011, Wiley

    Professor Zhigang Wang

  39. Transformation mechanism of a H2 molecule from physisorption to chemisorption in pristine and B-doped C20 fullerenes

    Article • Chemical Physics Letters, August 2011, Elsevier

    Professor Zhigang Wang

  40. Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions

    Article • Chinese Physics B, June 2011, Institute of Physics Publishing

    Professor Zhigang Wang

  41. Inside Cover: Size Dependence of Nanoscale Confinement on Chiral Transformation (Chem. Eur. J. 22/2010)

    Article • Chemistry - A European Journal, June 2010, Wiley

    Professor Zhigang Wang

  42. Size Dependence of Nanoscale Confinement on Chiral Transformation

    Article • Chemistry - A European Journal, May 2010, Wiley

    Professor Zhigang Wang

  43. Stable Liquid Water Droplet on a Water Monolayer Formed at Room Temperature on Ionic Model Substrates

    Article • Physical Review Letters, September 2009, American Physical Society (APS)

    Professor Zhigang Wang

  44. Adsorption Mechanism of Hydrogen on Boron-Doped Fullerenes

    Article • Chinese Physics Letters, August 2009, Institute of Physics Publishing

    Professor Zhigang Wang

  45. Theoretical study on the structures and dissociation processes of hexatomic sulphur

    Article • Journal of Molecular Structure THEOCHEM, July 2009, Elsevier

    Professor Zhigang Wang

  46. Raman signature to identify the structural transition of single-wall carbon nanotubes under high pressure

    Article • Physical Review B, November 2008, American Physical Society (APS)

    Professor Zhigang Wang

  47. Transient gain property of a weak probe field in an asymmetric semiconductor coupled double quantum well structure

    Article • Physics Letters A, October 2007, Elsevier

    Professor Zhigang Wang

  48. Structure and stability of various states of the EuC and EuC 2 molecules

    Article • Chinese Physics, July 2007, Institute of Physics Publishing

    Professor Zhigang Wang

  49. A Barrierless Process from Physisorption to Chemisorption of H 2 Molecules on Light-Element-Doped Fullerenes

    Article • The Journal of Physical Chemistry C, March 2007, American Chemical Society (ACS)

    Professor Zhigang Wang

  50. The two hydrogen transfer dissociation channels of nicotine molecule in the gas phase

    Article • Journal of Molecular Structure THEOCHEM, August 2006, Elsevier

    Professor Zhigang Wang

  51. Electronic states of C 20 isomers

    Article • Chinese Physics, July 2005, Institute of Physics Publishing

    Professor Zhigang Wang

  52. A path from Ih to C1 symmetry for C20 cage molecule

    Article • Journal of Computational Chemistry, January 2005, Wiley

    Professor Zhigang Wang