All Stories

  1. Diffusion-mediated passing of molecular species in linear nanopores constrained by orientational alignment

    Article • The Journal of Chemical Physics, July 2025, American Institute of Physics

    Yong Han

  2. Versatile stochastic model for predictive KMC simulation of fcc metal nanostructure evolution with realistic kinetics

    Article • The Journal of Chemical Physics, August 2024, American Institute of Physics

    Yong Han

  3. An evaluation for geometries, formation enthalpies, and dissociation energies of diatomic and triatomic (C, H, N, O), NO3, and HNO3 molecules from the PAW DFT method with PBE and optB88-vdW functionals

    Article • AIP Advances, December 2022, American Institute of Physics

    Yong Han

  4. Energy barriers for Dy and H penetrating graphene on 6H-SiC(0001) and freestanding bilayer graphene from first-principles calculations

    Article • Applied Physics Letters, July 2021, American Institute of Physics

    Yong Han

  5. Mechanism of Metal Intercalation under Graphene through Small Vacancy Defects

    Article • The Journal of Physical Chemistry C, March 2021, American Chemical Society (ACS)

    Yong Han

  6. Competitive formation of intercalated versus supported metal nanoclusters during deposition on layered materials with surface point defects

    Article • The Journal of Chemical Physics, January 2021, American Institute of Physics

    Yong Han

  7. Thermodynamic Preference for Atom Adsorption on versus Intercalation into Multilayer Graphene

    Article • The Journal of Physical Chemistry Letters, November 2020, American Chemical Society (ACS)

    Yong Han

  8. Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Yong Han

  9. Light scattering by pores in YAG transparent ceramics simulated by DDA model

    Article • Journal of the American Ceramic Society, September 2020, Wiley

    Yong Han

  10. Search for encapsulation of platinum, silver, and gold at the surface of graphite

    Article • Physical Review Research, July 2020, American Physical Society (APS)

    Yong Han

  11. Reshaping of Truncated Pd Nanocubes: Energetic and Kinetic Analysis Integrating Transmission Electron Microscopy with Atomistic-Level and Coarse-Grained Modeling

    Article • ACS Nano, July 2020, American Chemical Society (ACS)

    Yong Han

  12. Low-index surface energies, cleavage energies, and surface relaxations for crystalline NiAl from first-principles calculations

    Article • Surface Science, May 2020, Elsevier

    Yong Han

  13. Strain‐Enhanced Metallic Intermixing in Shape‐Controlled Multilayered Core–Shell Nanostructures: Toward Shaped Intermetallics

    Article • Angewandte Chemie, April 2020, Wiley

    Yong Han

  14. Adsorption, intercalation, diffusion, and adhesion of Cu at the 2H−MoS2 (0001) surface from first-principles calculations

    Article • Physical Review Research, February 2020, American Physical Society (APS)

    Yong Han

  15. Fundamentals of Au(111) Surface Dynamics: Coarsening of Two-Dimensional Au Islands

    Article • The Journal of Physical Chemistry C, February 2020, American Chemical Society (ACS)

    Yong Han

  16. Shapes of Fe nanocrystals encapsulated at the graphite surface

    Article • New Journal of Physics, February 2020, Institute of Physics Publishing

    Yong Han

  17. Fabricating Fe nanocrystals via encapsulation at the graphite surface

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, December 2019, American Vacuum Society

    Yong Han

  18. Energy barriers for Pb adatom diffusion on stepped ultrathin Pb(111) quantum nanofilms: First-principles calculations

    Article • November 2019, American Physical Society (APS)

    Yong Han

  19. Surface energies, adhesion energies, and exfoliation energies relevant to copper-graphene and copper-graphite systems

    Article • Surface Science, July 2019, Elsevier

    Yong Han

  20. Reshaping, Intermixing, and Coarsening for Metallic Nanocrystals: Nonequilibrium Statistical Mechanical and Coarse-Grained Modeling

    Article • Chemical Reviews, June 2019, American Chemical Society (ACS)

    Yong Han

  21. Thermodynamic Stabilities of Perfect and Vacancy-Defected Li2TiO3 (001) Surfaces From First-Principles Analyses

    Article • Physical Review Applied, May 2019, American Physical Society (APS)

    Yong Han

  22. Rapid fabrication of fine-grained Gd2-xNdxZr2-5xCe5xO7 ceramics by microwave sintering

    Article • Journal of Alloys and Compounds, April 2019, Elsevier

    Yong Han

  23. Energetics of Cu adsorption and intercalation at graphite step edges

    Article • March 2019, American Physical Society (APS)

    Yong Han

  24. Defect‐fluorite Gd 2 Zr 2 O 7 ceramics under helium irradiation: Amorphization, cell volume expansion, and multi‐stage bubble formation

    Article • Journal of the American Ceramic Society, February 2019, Wiley

    Yong Han

  25. Squeezed nanocrystals: equilibrium configuration of metal clusters embedded beneath the surface of a layered material

    Article • Nanoscale, January 2019, Royal Society of Chemistry

    Yong Han

  26. Kinetics, energetics, and size dependence of the transformation from Pt to ordered PtSn intermetallic nanoparticles

    Article • Nanoscale, January 2019, Royal Society of Chemistry

    Yong Han

  27. Reverse-engineering of graphene on metal surfaces: a case study of embedded ruthenium

    Article • Nanotechnology, October 2018, Institute of Physics Publishing

    Yong Han

  28. Anisotropic Diffusion of a Charged Tritium Interstitial in Li2TiO3 from First-Principles Calculations

    Article • Physical Review Applied, August 2018, American Physical Society (APS)

    Yong Han

  29. SiO 2 ‐Enhanced Structural Stability and Strong Adhesion with a New Binder of Konjac Glucomannan Enables Stable Cycling of Silicon Anodes for Lithium‐Ion Batteries

    Article • Advanced Energy Materials, June 2018, Wiley

    Yong Han

  30. Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights

    Article • The Journal of Physical Chemistry C, February 2018, American Chemical Society (ACS)

    Yong Han

  31. Deformation restraint of tape-casted transparent alumina ceramic wafers from optimized lamination

    Article • Ceramics International, January 2018, Elsevier

    Yong Han

  32. Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations

    Article • November 2017, American Physical Society (APS)

    Yong Han

  33. Nucleation and growth kinetics for intercalated islands during deposition on layered materials with isolated pointlike surface defects

    Article • Physical Review Materials, October 2017, American Physical Society (APS)

    Yong Han

  34. Point island models for nucleation and growth of supported nanoclusters during surface deposition

    Article • The Journal of Chemical Physics, December 2016, American Institute of Physics

    Yong Han

  35. Capture zone area distributions for nucleation and growth of islands during submonolayer deposition

    Article • The Journal of Chemical Physics, December 2016, American Institute of Physics

    Yong Han

  36. Ab Initio Thermodynamics and Kinetics for Coalescence of Two-Dimensional Nanoislands and Nanopits on Metal (100) Surfaces

    Article • The Journal of Physical Chemistry C, September 2016, American Chemical Society (ACS)

    Yong Han

  37. Tailoring Kinetics on a Topological Insulator Surface by Defect-Induced Strain: Pb Mobility on Bi2Te3

    Article • Nano Letters, June 2016, American Chemical Society (ACS)

    Yong Han

  38. Submonolayer Ag films on Fe(100): A first-principles analysis of energetics controlling adlayer thermodynamics and kinetics

    Article • April 2016, American Physical Society (APS)

    Yong Han

  39. Growth morphology and properties of metals on graphene

    Article • Progress in Surface Science, December 2015, Elsevier

    Yong Han

  40. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

    Article • The Journal of Chemical Physics, October 2015, American Institute of Physics

    Yong Han

  41. Directing Anisotropic Assembly of Metallic Nanoclusters by Exploiting Linear Trio Interactions and Quantum Size Effects: Au Chains on Ag(100) Thin Films

    Article • The Journal of Physical Chemistry Letters, May 2015, American Chemical Society (ACS)

    Yong Han

  42. Analysis of magic lengths in growth of supported metallic nanowires

    Article • Materials Research Express, November 2014, Institute of Physics Publishing

    Yong Han

  43. Determining whether metals nucleate homogeneously on graphite: A case study with copper

    Article • Physical Review B, November 2014, American Physical Society (APS)

    Yong Han

  44. Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100)

    Article • Nano Letters, June 2014, American Chemical Society (ACS)

    Yong Han

  45. Analytic formulations for one-dimensional decay of rectangular homoepitaxial islands during coarsening on anisotropic fcc (110) surfaces

    Article • Physical Review B, October 2013, American Physical Society (APS)

    Yong Han

  46. Anisotropic coarsening: One-dimensional decay of Ag islands on Ag(110)

    Article • Physical Review B, April 2013, American Physical Society (APS)

    Yong Han

  47. Atomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene

    Article • The Journal of Chemical Physics, April 2013, American Institute of Physics

    Yong Han

  48. Atomistic modeling of Ru nanocluster formation on graphene/Ru(0001): Thermodynamically versus kinetically directed-assembly

    Article • MRS Proceedings, January 2013, Cambridge University Press

    Yong Han

  49. Interplay between quantum size effect and strain effect on growth of nanoscale metal thin films

    Article • Physical Review B, September 2012, American Physical Society (APS)

    Yong Han

  50. Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling

    Article • Physical Review B, August 2012, American Physical Society (APS)

    Yong Han

  51. Formation of a Novel OrderedNi3AlSurface Structure by Codeposition on NiAl(110)

    Article • Physical Review Letters, May 2012, American Physical Society (APS)

    Yong Han

  52. Atomistic modeling of alloy self-growth by vapor deposition: Ni and Al on NiAl(110)

    Article • MRS Proceedings, January 2012, Cambridge University Press

    Yong Han

  53. Far-from-equilibrium film growth on alloy surfaces: Ni and Al on NiAl(110)

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

    Yong Han

  54. Temperature-dependent growth shapes of Ni nanoclusters on NiAl(110)

    Article • The Journal of Chemical Physics, August 2011, American Institute of Physics

    Yong Han

  55. Formation of Irregular Al Islands by Room-Temperature Deposition on NiAl(110)

    Article • MRS Proceedings, January 2011, Cambridge University Press

    Yong Han

  56. Variation of growth morphology with chemical composition of terraces: Ag on a twofold surface of a decagonal Al-Cu-Co quasicrystal

    Article • Physical Review B, December 2010, American Physical Society (APS)

    Yong Han

  57. Self-assembly of metal nanostructures on binary alloy surfaces

    Article • Proceedings of the National Academy of Sciences, November 2010, Proceedings of the National Academy of Sciences

    Yong Han

  58. Shell structure and phase relations in electronic properties of metal nanowires from an electron-gas model

    Article • Physical Review B, September 2010, American Physical Society (APS)

    Yong Han

  59. Nanoscale “Quantum” Islands on Metal Substrates: Microscopy Studies and Electronic Structure Analyses

    Article • Materials, July 2010, MDPI AG

    Yong Han

  60. Erratum: Quantum size effects in metal nanofilms: Comparison of an electron-gas model and density functional theory calculations [Phys. Rev. B80, 155404 (2009)]

    Article • Physical Review B, April 2010, American Physical Society (APS)

    Yong Han

  61. Comment on “Capture-Zone Scaling in Island Nucleation: Universal Fluctuation Behavior”

    Article • Physical Review Letters, April 2010, American Physical Society (APS)

    Yong Han

  62. Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modeling

    Article • Physical Review B, March 2010, American Physical Society (APS)

    Yong Han

  63. From Initial to Late Stages of Epitaxial Thin Film Growth: STM Analysis and Atomistic or Coarse-Grained Modeling

    Article • January 2010, American Institute of Physics

    Yong Han

  64. Quantum size effects in metal nanofilms: Comparison of an electron-gas model and density functional theory calculations

    Article • Physical Review B, October 2009, American Physical Society (APS)

    Yong Han

  65. Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

    Article • Journal of Physics Condensed Matter, January 2009, Institute of Physics Publishing

    Yong Han

  66. A jellium model analysis on quantum growth of metal nanowires and nanomesas

    Article • Frontiers of Physics in China, December 2008, Springer Science + Business Media

    Yong Han

  67. Single crystal growth via a grain rotation mechanism within amorphous matrix

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

    Yong Han

  68. Flat-surface, step-edge, facet–facet, and facet–step diffusion barriers in growth of a Pb mesa

    Article • Surface Science, July 2008, Elsevier

    Yong Han

  69. Quantum stabilities and growth modes of thin metal films: Unsupported and NiAl-supported Ag(110) and Ag(100)

    Article • Surface Science, July 2008, Elsevier

    Yong Han

  70. How a silver dendritic mesocrystal converts to a single crystal

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

    Yong Han

  71. Kinetics of Facile Bilayer Island Formation at Low Temperature:Ag/NiAl(110)

    Article • Physical Review Letters, March 2008, American Physical Society (APS)

    Yong Han

  72. Coulomb sink effect on coarsening of metal nanostructures on surfaces

    Article • Frontiers of Physics in China, February 2008, Springer Science + Business Media

    Yong Han

  73. Kinetics of mesa overlayer growth: Climbing of adatoms onto the mesa top

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

    Yong Han

  74. Quantum modulation of island nucleation on top of a metal nanomesa

    Article • Surface Science, January 2008, Elsevier

    Yong Han

  75. Scanning tunneling microscopy and density functional theory study of initial bilayer growth of Ag films on NiAl(110)

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

    Yong Han

  76. Quantum Size Effect on Adatom Surface Diffusion

    Article • Physical Review Letters, December 2006, American Physical Society (APS)

    Yong Han

  77. Determination of the Ehrlich-Schwoebel barrier in epitaxial growth of thin films

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

    Yong Han

  78. Fabricating artificial nanowells with tunable size and shape by using scanning tunneling microscopy

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

    Yong Han

  79. Coulomb Sink: A Novel Coulomb Effect on Coarsening of Metal Nanoclusters on Semiconductor Surfaces

    Article • Physical Review Letters, September 2004, American Physical Society (APS)

    Yong Han

  80. Geometric Constant Defining Shape Transitions of Carbon Nanotubes under Pressure

    Article • Physical Review Letters, March 2004, American Physical Society (APS)

    Yong Han

  81. Fully paired-configuration mixing calculations in46Tiand48Cr

    Article • Physical Review C, May 2000, American Physical Society (APS)

    Yong Han