All Stories

  1. Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor

    Article • Nano Research, July 2015, Tsinghua University Press

    Professor Hansong Cheng

  2. Construction of a lithium ion transport network in cathode with lithiated bis(benzene sulfonyl)imide based single ion polymer ionomers

    Article • Journal of Power Sources, June 2015, Elsevier

    Professor Hansong Cheng

  3. Electronic Structures and Transport Properties of n-Type-Doped Indium Oxides

    Article • The Journal of Physical Chemistry C, March 2015, American Chemical Society (ACS)

    Professor Hansong Cheng

  4. Polymeric organo–magnesium complex for room temperature hydrogen physisorption

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

    Professor Hansong Cheng

  5. Melamine–terephthalaldehyde–lithium complex: a porous organic network based single ion electrolyte for lithium ion batteries

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    Professor Hansong Cheng, Dr Weiwei Cai

  6. Towards neat methanol operation of direct methanol fuel cells: a novel self-assembled proton exchange membrane

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Professor Hansong Cheng, Dr Weiwei Cai

  7. On the mechanism of catalytic hydrogenation of thiophene on hydrogen tungsten bronze

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

    Professor Hansong Cheng

  8. Novel Polyamide Proton Exchange Membranes with Bi-Functional Sulfonimide Bridges for Fuel Cell Applications

    Article • Electrochimica Acta, January 2015, Elsevier

    Professor Hansong Cheng, Dr Weiwei Cai

  9. A novel sp3Al-based porous single-ion polymer electrolyte for lithium ion batteries

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

    Professor Hansong Cheng

  10. A 2D metal–organic framework composed of a bi-functional ligand with ultra-micropores for post-combustion CO2 capture

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

    Professor Hansong Cheng

  11. A high performance polysiloxane-based single ion conducting polymeric electrolyte membrane for application in lithium ion batteries

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    Professor Hansong Cheng

  12. A novel surface modification scheme for ITO nanocrystals by acetylene: a combined experimental and DFT study

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

    Professor Hansong Cheng

  13. 3D-Branched Rigid-Flexible Hybrid Sulfonated Polyamide for Proton Exchange Membranes (PEMs) in Fuel Cell Applications

    Article • Energy Technology, December 2014, Wiley

    Professor Hansong Cheng, Dr Weiwei Cai

  14. Functionalized polystyrene based single ion conducting gel polymer electrolyte for lithium batteries

    Article • Solid State Ionics, December 2014, Elsevier

    Professor Hansong Cheng, Dr Weiwei Cai

  15. A comparative study of catalytic dehydrogenation of perhydro-N-ethylcarbazole over noble metal catalysts

    Article • International Journal of Hydrogen Energy, November 2014, Elsevier

    Professor Hansong Cheng

  16. Influence of Chemical Microstructure of Single-Ion Polymeric Electrolyte Membranes on Performance of Lithium-Ion Batteries

    Article • ACS Applied Materials & Interfaces, October 2014, American Chemical Society (ACS)

    Professor Hansong Cheng, Dr Weiwei Cai

  17. Surface Modification of ITO Nanoparticles by Trimesic Acid: A Combined Experimental and DFT Study

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

    Professor Hansong Cheng

  18. Room Temperature Hydrogen Physisorption on Exposed Metals in A Highly Cross-Linked Organo-Iron Complex

    Article • Advanced Materials Interfaces, September 2014, Wiley

    Professor Hansong Cheng

  19. Synthesis, Characterization and Battery Performance of A Lithium Poly (4-vinylphenol) Phenolate Borate Composite Membrane

    Article • Electrochimica Acta, September 2014, Elsevier

    Professor Hansong Cheng, Dr Weiwei Cai

  20. Minimizing Polysulfide Shuttles in Lithium Sulfur Batteries by Introducing Immobile Lithium Ions into Carbon-Sulfur Nanocomposites

    Article • ChemElectroChem, August 2014, Wiley

    Professor Hansong Cheng, Dr Weiwei Cai

  21. Interactions between hydrogen and tungsten carbide: a first principles study

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

    Professor Hansong Cheng

  22. A Polyamide Single-Ion Electrolyte Membrane for Application in Lithium-Ion Batteries

    Article • Energy Technology, July 2014, Wiley

    Professor Hansong Cheng, Dr Weiwei Cai

  23. Density functional theory study on the full ALD process of silicon nitride thin film deposition via BDEAS or BTBAS and NH3

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

    Professor Hansong Cheng

  24. Rigid-Flexible Hybrid Proton-Exchange Membranes with Improved Water-Retention Properties and High Stability for Fuel Cells

    Article • Energy Technology, June 2014, Wiley

    Professor Hansong Cheng, Dr Weiwei Cai

  25. Lithium-Ion Batteries with a Wide Temperature Range Operability Enabled by Highly Conductive sp3Boron-Based Single Ion Polymer Electrolytes

    Article • Energy Technology, June 2014, Wiley

    Professor Hansong Cheng, Dr Weiwei Cai

  26. A lithium poly(pyromellitic acid borate) gel electrolyte membrane for lithium-ion batteries

    Article • Journal of Materials Science, June 2014, Springer Science + Business Media

    Professor Hansong Cheng, Dr Weiwei Cai

  27. Analytic Force Field for Clusters and Nanoparticles of Aluminum and Its Hydride

    Article • Physical Review Applied, June 2014, American Physical Society (APS)

    Professor Hansong Cheng

  28. Single‐Ion Polymer Electrolyte Membranes Enable Lithium‐Ion Batteries with a Broad Operating Temperature Range

    Article • ChemSusChem, March 2014, Wiley

    Yunfeng Zhang, Professor Hansong Cheng, Dr Weiwei Cai

  29. Fabrication of a proton exchange membrane via blended sulfonimide functionalized polyamide

    Article • Journal of Materials Science, January 2014, Springer Science + Business Media

    Yunfeng Zhang, Professor Hansong Cheng, Dr Weiwei Cai

  30. Mechanism of Hydrogen Spillover on WO 3 (001) and Formation of H x WO 3 ( x = 0.125, 0.25, 0.375, and 0.5)

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

    Professor Hansong Cheng

  31. Functionalized meso/macro-porous single ion polymeric electrolyte for applications in lithium ion batteries

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Professor Hansong Cheng, Dr Weiwei Cai

  32. A gel single ion polymer electrolyte membrane for lithium-ion batteries with wide-temperature range operability

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

    Yunfeng Zhang, Professor Hansong Cheng, Dr Weiwei Cai

  33. Highly selective carbon dioxide adsorption on exposed magnesium metals in a cross-linked organo-magnesium complex

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Professor Hansong Cheng

  34. Hydrogen physisorption in ionic solid compounds with exposed metal cations at room temperature

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

    Professor Hansong Cheng

  35. Design and synthesis of a single ion conducting block copolymer electrolyte with multifunctionality for lithium ion batteries

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

    Professor Hansong Cheng, Dr Weiwei Cai

  36. Fabrication of Highly Transparent and Conductive Indium–Tin Oxide Thin Films with a High Figure of Merit via Solution Processing

    Article • Langmuir, November 2013, American Chemical Society (ACS)

    Professor Hansong Cheng

  37. Effect of Al Electronic Configuration on the SiO 2 Thin Film Growth via Catalytic Self-Assembling Deposition

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

    Professor Hansong Cheng

  38. First-Principles Study of a Full Cycle of Atomic Layer Deposition of SiO 2 Thin Films with Di( sec -butylamino)silane and Ozone

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

    Professor Hansong Cheng

  39. On the CO 2 Capture in Water-Free Monoethanolamine Solution: An ab Initio Molecular Dynamics Study

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

    Professor Hansong Cheng

  40. Rapid reversible electromigration of intercalated K ions within individual MoO3 nanobundle

    Article • Journal of Applied Physics, January 2013, American Institute of Physics

    Professor Hansong Cheng

  41. A class of sp3 boron-based single-ion polymeric electrolytes for lithium ion batteries

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Yunfeng Zhang, Professor Hansong Cheng

  42. Hydrogenation of N-propylcarbazole over supported ruthenium as a new prototype of liquid organic hydrogen carriers (LOHC)

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Professor Hansong Cheng

  43. First-Principles Study of Hydrogenation of Ethylene on a H x MoO 3 (010) Surface

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

    Professor Hansong Cheng

  44. Temperature controlled three-stage catalytic dehydrogenation and cycle performance of perhydro-9-ethylcarbazole

    Article • International Journal of Hydrogen Energy, September 2012, Elsevier

    Professor Hansong Cheng

  45. On the Mechanisms of Carbon Formation Reaction on Ni(111) Surface

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

    Professor Hansong Cheng

  46. Substrate Reconstruction Mediated Unidirectionally Aligned Molecular Dipole Dot Arrays

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

    Professor Hansong Cheng

  47. ChemInform Abstract: Expeditious Diastereoselective Construction of a Thiochroman Skeleton via a Cinchona Alkaloid-Derived Catalyst.

    Article • ChemInform, April 2012, Wiley

    Professor Hansong Cheng

  48. K-Enriched MoO 3 Nanobundles: A Layered Structure with High Electric Conductivity

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

    Professor Hansong Cheng

  49. On the Mechanisms of SiO 2 Thin-Film Growth by the Full Atomic Layer Deposition Process Using Bis( t -butylamino)silane on the Hydroxylated SiO 2 (001) Surface

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

    Professor Hansong Cheng

  50. Expeditious diastereoselective construction of a thiochroman skeleton via a cinchona alkaloid-derived catalyst

    Article • Organic & Biomolecular Chemistry, January 2012, Royal Society of Chemistry

    Professor Hansong Cheng

  51. Electronic stress tensor analysis of hydrogenated palladium clusters

    Article • Theoretical Chemistry Accounts, October 2011, Springer Science + Business Media

    Professor Hansong Cheng

  52. Role of an Aluminum Atom on Graphene for Hydrogen Adsorption

    Article • Journal of the Physical Society of Japan, July 2011, Physical Society of Japan

    Professor Hansong Cheng

  53. First Principles Study of Steam Carbon Reaction on γ-Fe(111) Surface

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

    Professor Hansong Cheng

  54. Hydrogen sequential dissociative chemisorption on Nin(n = 2~9,13) clusters: comparison with Pt and Pd

    Article • Journal of Molecular Modeling, April 2011, Springer Science + Business Media

    Professor Hansong Cheng

  55. Understanding CO 2 Capture Mechanisms in Aqueous Monoethanolamine via First Principles Simulations

    Article • The Journal of Physical Chemistry Letters, March 2011, American Chemical Society (ACS)

    Professor Hansong Cheng

  56. Force fields for metallic clusters and nanoparticles

    Article • Journal of Computational Chemistry, March 2011, Wiley

    Professor Hansong Cheng

  57. Density Functional Theory Study of Water Dissociative Chemisorption on the Fe 3 O 4 (111) Surface

    Article • The Journal of Physical Chemistry C, December 2010, American Chemical Society (ACS)

    Professor Hansong Cheng

  58. ChemInform Abstract: Bis(2-methoxyethyl)aminosulfur Trifluoride: A New Broad-Spectrum Deoxofluorinating Agent with Enhanced Thermal Stability.

    Article • ChemInform, June 2010, Wiley

    Professor Hansong Cheng

  59. Revisiting Hydrogen Storage in Bulk BC3

    Article • The Journal of Physical Chemistry C, February 2010, American Chemical Society (ACS)

    Professor Hansong Cheng

  60. Weak Chemical Complexation of PH 3 with Ionic Liquids

    Article • The Journal of Physical Chemistry, January 2010, American Chemical Society (ACS)

    Professor Hansong Cheng

  61. A first principles study of water dissociation on small copper clusters

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Professor Hansong Cheng

  62. An Enhanced Hydrogen Adsorption Enthalpy for Fluoride Intercalated Graphite Compounds

    Article • Journal of the American Chemical Society, December 2009, American Chemical Society (ACS)

    Professor Hansong Cheng

  63. First-Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN(111) Surfaces Using a Variety of Metallic Glue Materials

    Article • Angewandte Chemie International Edition, November 2009, Wiley

    Professor Hansong Cheng

  64. First-Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN(111) Surfaces Using a Variety of Metallic Glue Materials

    Article • Angewandte Chemie, November 2009, Wiley

    Professor Hansong Cheng

  65. Hydrogen Absorption and Diffusion in Bulk α-MoO 3

    Article • The Journal of Physical Chemistry C, July 2009, American Chemical Society (ACS)

    Professor Hansong Cheng

  66. On the Dissociative Chemisorption of Tris(dimethylamino)silane on Hydroxylated SiO 2 (001) Surface

    Article • The Journal of Physical Chemistry C, June 2009, American Chemical Society (ACS)

    Professor Hansong Cheng

  67. Sequential H2 Chemisorption and H Desorption on Icosahedral Pt13 and Pd13 Clusters: A Density Functional Theory Study

    Article • Journal of Computational and Theoretical Nanoscience, June 2009, American Scientific Publishers

    Professor Hansong Cheng

  68. Chemisorption of small fullerenes C n ( n = 28 , 32 , 36 , 40 , 44 , 48 , 60 ) on the Si ( 001 ) − c ( 2 × 1 ) surface

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

    Professor Hansong Cheng

  69. On the relative stability of cobalt- and nickel-based amidinate complexes against β-migration

    Article • International Journal of Quantum Chemistry, March 2009, Wiley

    Professor Hansong Cheng

  70. On reversible bonding of hydrogen molecules on platinum clusters

    Article • The Journal of Chemical Physics, February 2009, American Institute of Physics

    Professor Hansong Cheng

  71. Force field for copper clusters and nanoparticles

    Article • Journal of Computational Chemistry, January 2009, Wiley

    Professor Hansong Cheng

  72. A mechanistic study of CO removal on a small H-saturated platinum cluster

    Article • Science in China Series B Chemistry, December 2008, Springer Science + Business Media

    Professor Hansong Cheng

  73. ChemInform Abstract: Hydrogen Dissociative Chemisorption and Desorption on Saturated Subnano Palladium Clusters (Pdn, n = 2-9)

    Article • ChemInform, November 2008, Wiley

    Professor Hansong Cheng

  74. Dynamics of Hydrogen Spillover on Carbon-Based Materials

    Article • The Journal of Physical Chemistry C, November 2008, American Chemical Society (ACS)

    Professor Hansong Cheng

  75. First-Principles Study on Water and Oxygen Adsorption on Surfaces of Indium Oxide and Indium Tin Oxide Nanoparticles

    Article • The Journal of Physical Chemistry C, September 2008, American Chemical Society (ACS)

    Professor Hansong Cheng

  76. Influence of CO Poisoning on Hydrogen Chemisorption onto a Pt 6 Cluster

    Article • The Journal of Physical Chemistry C, September 2008, American Chemical Society (ACS)

    Professor Hansong Cheng

  77. Ab Initio Molecular Dynamics Simulation on the Aggregation of a Cu Monolayer on a WN(001) Surface

    Article • The Journal of Physical Chemistry C, July 2008, American Chemical Society (ACS)

    Professor Hansong Cheng

  78. Effect of Co doping on catalytic activity of small Pt clusters

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Professor Hansong Cheng

  79. Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles

    Article • Journal of Molecular Modeling, February 2008, Springer Science + Business Media

    Professor Hansong Cheng

  80. A mechanistic study of hydrogen spillover in MoO 3 and carbon-based graphitic materials

    Article • Journal of Physics Condensed Matter, January 2008, Institute of Physics Publishing

    Professor Hansong Cheng

  81. Hydrogen spillover in the context of hydrogen storage using solid-state materials

    Article • Energy & Environmental Science, January 2008, Royal Society of Chemistry

    Professor Hansong Cheng

  82. Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Professor Hansong Cheng

  83. On the electronic structures and spectroscopic properties of polyyne and its derivatives

    Article • International Journal of Quantum Chemistry, January 2008, Wiley

    Professor Hansong Cheng

  84. High Gas Storage Capacities for Ionic Liquids through Chemical Complexation

    Article • Journal of the American Chemical Society, January 2008, American Chemical Society (ACS)

    Professor Hansong Cheng

  85. Growth Pathway of Pt Clusters on α-Al 2 O 3 (0001) Surface

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

    Professor Hansong Cheng

  86. Designing carbon nanoframeworks tailored for hydrogen storage

    Article • Chemical Physics Letters, May 2007, Elsevier

    Professor Hansong Cheng

  87. Computational Study on the Relative Reactivities of Cobalt and Nickel Amidinates via β-H Migration

    Article • Organometallics, May 2007, American Chemical Society (ACS)

    Professor Hansong Cheng

  88. Density Functional Study of Sequential H 2 Dissociative Chemisorption on a Pt 6 Cluster

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

    Professor Hansong Cheng

  89. Interaction of copper organometallic precursors with barrier layers of Ti, Ta and W and their nitrides: a first-principles molecular dynamics study

    Article • Journal of Molecular Modeling, March 2007, Springer Science + Business Media

    Professor Hansong Cheng

  90. New Precursors for Copper ALD

    Article • January 2007, The Electrochemical Society

    Professor Hansong Cheng

  91. First principles study of small palladium cluster growth and isomerization

    Article • International Journal of Quantum Chemistry, January 2007, Wiley

    Professor Hansong Cheng

  92. Molecular Dynamics Simulations of Hydrogen Adsorption in Finite and Infinite Bundles ofSingle Walled Carbon Nanotubes

    Article • January 2007, Springer Science + Business Media

    Professor Hansong Cheng

  93. Physical Adsorption Strength in Open Systems

    Article • The Journal of Physical Chemistry, November 2006, American Chemical Society (ACS)

    Professor Hansong Cheng

  94. Adsorption of fullerenes C n ( n = 32 , 36 , 40 , 44 , 48 , 60 ) on the Ga As ( 001 ) − c ( 4 × 4 ) reconstructed surface

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

    Professor Hansong Cheng

  95. First principles studies on the growth of small Cu clusters and the dissociative chemisorption of H 2

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

    Professor Hansong Cheng

  96. Influence of sequential lithium insertions on the physical properties of spinel manganese oxide

    Article • International Journal of Quantum Chemistry, January 2006, Wiley

    Professor Hansong Cheng

  97. Structural evolution of subnano platinum clusters

    Article • International Journal of Quantum Chemistry, January 2006, Wiley

    Professor Hansong Cheng

  98. First principles calculations of thermodynamics for semiconductor alloys

    Article • Chemical Physics Letters, August 2005, Elsevier

    Professor Hansong Cheng

  99. First-Principles Analyses and Predictions on the Reactivity of Barrier Layers of Ta and TaN toward Organometallic Precursors for Deposition of Copper Films

    Article • Langmuir, August 2005, American Chemical Society (ACS)

    Professor Hansong Cheng

  100. Chemisorption of C 28 fullerene on c ( 4 × 4 ) reconstructed GaAs(001) surface: A density functional theory study

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

    Professor Hansong Cheng

  101. Molecular Dynamics Simulations on the Effects of Diameter and Chirality on Hydrogen Adsorption in Single Walled Carbon Nanotubes

    Article • The Journal of Physical Chemistry, March 2005, American Chemical Society (ACS)

    Professor Hansong Cheng

  102. Evolution of Small Copper Clusters and Dissociative Chemisorption of Hydrogen

    Article • Physical Review Letters, January 2005, American Physical Society (APS)

    Professor Hansong Cheng

  103. Comment on “Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures” [J. Chem. Phys. 119, 2376 (2003)]

    Article • The Journal of Chemical Physics, May 2004, American Institute of Physics

    Professor Hansong Cheng

  104. Response to ‘Comment on “A critical assessment on two predictive models of binary vapor–liquid equilibrium”’ by A. Klamt, Phys. Chem. Chem. Phys., 2004,6, DOI: 10.1039/b411213j

    Article • Physical Chemistry Chemical Physics, January 2004, Royal Society of Chemistry

    Professor Hansong Cheng

  105. Electronic structure of cross-linked carbon nanotubes doped with alkali metals

    Article • Journal of Materials Chemistry, January 2004, Royal Society of Chemistry

    Professor Hansong Cheng

  106. A critical assessment on two predictive models of binary vapor–liquid equilibrium

    Article • Physical Chemistry Chemical Physics, January 2004, Royal Society of Chemistry

    Professor Hansong Cheng

  107. DFT study of the reaction proceeding in the cytidine deaminase

    Article • Chemical Physics Letters, November 2003, Elsevier

    Professor Hansong Cheng, Professor Jerzy Leszczynski

  108. First-principles molecular dynamics study of the stretching frequencies of hydrogen molecules in carbon nanotubes

    Article • New Journal of Physics, September 2003, Institute of Physics Publishing

    Professor Hansong Cheng

  109. A comparative study of CO chemisorption on flat and stepped Ni surfaces using density functional theory

    Article • Surface Science, July 2003, Elsevier

    Professor Hansong Cheng

  110. Spontaneous Cross Linking of Small-Diameter Single-Walled Carbon Nanotubes

    Article • Nano Letters, May 2003, American Chemical Society (ACS)

    Professor Hansong Cheng

  111. A Molecular Dynamics Simulation Study Towards Understanding the Effects of Diameter and Chirality on Hydrogen Adsorption in Singlewalled Carbon Nanotubes

    Article • MRS Proceedings, January 2003, Cambridge University Press

    Professor Hansong Cheng

  112. Interaction between Catalyst and Support. 4. Periodic Trends and Patterns in Interactions of First-Row Transition Metals with the Silica Surface

    Article • The Journal of Physical Chemistry, October 2002, American Chemical Society (ACS)

    Professor Hansong Cheng

  113. Parametric equations of motion for the transition operator and the Green’s operator

    Article • Physical Review A, August 2002, American Physical Society (APS)

    Professor Hansong Cheng

  114. First-Principles Studies on Heterogeneous Catalysis of Amination: Mechanisms and Support Effects

    Article • January 2002, Springer Science + Business Media

    Professor Hansong Cheng

  115. Ab Initio Molecular Dynamical Simulation on H2 Adsorption and Storage in Carbon-Based Materials

    Article • January 2002, Springer Science + Business Media

    Professor Hansong Cheng

  116. Structure and Energetics of Iron Pentacarbonyl Formation at an Fe(100) Surface

    Article • The Journal of Physical Chemistry, December 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  117. Interaction between Catalyst and Support. 3. Metal Agglomeration on the Silica Surface

    Article • The Journal of Physical Chemistry, September 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  118. Interaction between Catalyst and Support. 1. Low Coverage of Co and Ni at the Silica Surface

    Article • The Journal of Physical Chemistry, August 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  119. Mechanism of Hydrogen Sorption in Single-Walled Carbon Nanotubes

    Article • Journal of the American Chemical Society, June 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  120. Interaction between Catalyst and Support. 2. Low Coverage of Co and Ni at the Alumina Surface

    Article • The Journal of Physical Chemistry, March 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  121. Hydrogen Adsorption in Potassium-Intercalated Graphite of Second Stage:  An ab Initio Molecular Dynamics Study

    Article • The Journal of Physical Chemistry, January 2001, American Chemical Society (ACS)

    Professor Hansong Cheng

  122. Interaction between Catalyst and Support. 1. Low Coverage of Co and Ni at the Silica Surface

    Article • The Journal of Physical Chemistry, November 2000, American Chemical Society (ACS)

    Professor Hansong Cheng

  123. Cationization Effect on the Molecular Weight Distribution of an Ethoxylated Polymer:  A Combined Theoretical and Time-of-Flight Secondary Ion Mass Spectroscopic Study

    Article • The Journal of Physical Chemistry A, March 2000, American Chemical Society (ACS)

    Professor Hansong Cheng

  124. On the mechanism and energetics of Boudouard reaction at FeO(100) surface: 2CO→C+CO2

    Article • Catalysis Today, May 1999, Elsevier

    Professor Hansong Cheng

  125. Quantum Mechanical Modeling of Structure Evolution of Transition Metal Clusters and Metallocarbohedrenes

    Article • January 1999, Springer Science + Business Media

    Professor Hansong Cheng

  126. New Magic Numbers in Ti x C y - Anion Clusters and Implications for the Growth Mechanisms of Titanium Carbide Clusters

    Article • Journal of the American Chemical Society, July 1998, American Chemical Society (ACS)

    Professor Hansong Cheng

  127. Density Functional Calculations of Thermochemical Equilibria

    Article • The Journal of Physical Chemistry A, February 1998, American Chemical Society (ACS)

    Professor Hansong Cheng

  128. Role of transition metal oxides in metal dusting: Density functional study

    Article • AIChE Journal, January 1998, Wiley

    Professor Hansong Cheng

  129. Quantum-mechanical calculations of chemical thermodynamics: Practice and limitations

    Article • AIChE Journal, August 1997, Wiley

    Professor Hansong Cheng

  130. Photoelectron spectroscopy of small chromium clusters: Observation of even-odd alternations and theoretical interpretation

    Article • May 1997, American Physical Society (APS)

    Professor Hansong Cheng

  131. Growth Pathways of Metallocarbohedrenes: Cagelike or Cubic?

    Article • Physical Review Letters, April 1997, American Physical Society (APS)

    Professor Hansong Cheng

  132. Dimer Growth, Structural Transition, and Antiferromagnetic Ordering of Small Chromium Clusters

    Article • Physical Review Letters, July 1996, American Physical Society (APS)

    Professor Hansong Cheng

  133. Molecular modeling in engineering design and materials development

    Article • Fluid Phase Equilibria, March 1996, Elsevier

    Professor Hansong Cheng

  134. Density Functional Study of Oxygen Sorption in Cyanocobaltate Complexes:  Reversibility and Charge Transfer

    Article • The Journal of Physical Chemistry, January 1996, American Chemical Society (ACS)

    Professor Hansong Cheng

  135. Structures and Energetics of NH 3 Adsorption and Decomposition at Nb(100) Surface:  A Density Functional Study

    Article • The Journal of Physical Chemistry, January 1996, American Chemical Society (ACS)

    Professor Hansong Cheng

  136. Cyclic alkylsilanes as low-pressure chemical vapor deposition silicon dioxide precursors

    Article • Thin Solid Films, July 1995, Elsevier

    Professor Hansong Cheng

  137. Mechanisms of collision-induced desorption of a physisorbed atom at superthermal energy: a multiple scattering study

    Article • Surface Science, March 1995, Elsevier

    Professor Hansong Cheng

  138. Investigation of Nitriding Mechanism at Transition Metal Surfaces: NH3 Adsorption and Decomposition on Fe(100), Ni(100), and Cr(100)

    Article • The Journal of Physical Chemistry, March 1995, American Chemical Society (ACS)

    Professor Hansong Cheng

  139. Atomic collisions with inhomogeneous solid surfaces: multiple scattering from surface defects and mixed overlayers

    Article • Surface Science, March 1994, Elsevier

    Professor Hansong Cheng

  140. Numerical study of the multiple-scattering series for gas-solid dynamics including single- through triple-collision terms

    Article • Physical Review A, February 1994, American Physical Society (APS)

    Professor Hansong Cheng

  141. Matrix elements of the transition operator evaluated off the energy shell: Analytic results for the hard-core plus square-well spherical potential

    Article • Physical Review A, November 1990, American Physical Society (APS)

    Professor Hansong Cheng