Refereed Papers

*Selected by the Virtual Journal of nano-Science and Technology

*61. From cluster to bulk: Size dependent energetics of silica and silica-water interaction, Yao He, Chao Cao, Ying-Xia Wan, and Hai-Ping Cheng, J. Chem. Phys. 124, 024722 (2006).
60. Ab initio calculation of impurity effects in copper oxide materials, L.-L. Wang, P.J. Hirschfield, and H.-P. Cheng, Phys. Reb. B72 224561 (2005).
59. First-principles investigation of a monolayer of C-60 on h-BN/Ni(111), J.-G. Che JG, H.-P. Cheng, Phys.Rev. B72, 115436(2005).
58. Constructing a small strain potential for multi-scale modeling, A. Mallik, K. Runge, H.-P. Cheng J. Dufty, Mol. Simu. 31, 695-703 (2005).
*57.Density functional study of the adsorption of a C60 monolayer on Ag(111) and Au(111) surfaces, Lin-Lin Wang and Hai-Ping Cheng Phys. Rev. B 69, 165417 [12 pages] (2004).
*56.Coherent electron transport through an azobenzene molecule: A light driven molecular switch, C. Zhang, M.-H. Du, Hai-Ping Cheng, X.-G. Zhang, A.E. Roitberg, and J.L. Krause, Phys. Rev. Lett. 92, 158301 [4 pages] (2004).
*55.Electronic structure and spin-dependent tunneling conductance under finite bias, Chun Zhang, Xiao-Guang Zhang, P.S. Krstic, Hai-Ping Cheng, and W.H. Butler, Phys. Rev. B 69, 134406 [12 pages] (2004).
54.Rotation, translation, charge transfer, and electronic structure of C60 on Cu (111) surface, Lin-Lin Wang and Hai-Ping Cheng, Phys. Rev. B 69, 40404 [7 pages] (2004).
53.Hydrolysis of a Two-Membered Silica Ring on the Amorphous Silica surface: A Computational Study that Combines Quantum Mechanics and Classical Interatomic Potential Functions, Mao-Hua Du, Andrew Kolchin and Hai-Ping Cheng, J. Chem. Phys. 120, 1044-1054 (2004).
52.Bulk separative enrichment in metallic or semiconducting single-walled carbon nanotubes, Z.-H. Chen, X. Du, M.-H. Du, C.D. Rancken, H.-P. Cheng, and A.G. Rinzler, Nano Lett. 3, 1245-1249 (2003).
*51.Manipulation of fullerene-induced impurity states in carbon peapods, Mao-Hua Du and Hai-Ping Cheng, Phys. Rev. B 68, 113402 [4 pages] (2003).
50.Stability of free and oxidized silver clusters, M. Schmidt, Ph. Cahuzac, C. Bréchignac and Hai-Ping Cheng, J. Chem. Phys. 118, 10956-10962 (2003).
49.Molecular dynamics simulation of potential energy sputtering on LiF surface by slow highly charged ions, Lin-Lin Wang, Ajith Perera, and Hai-Ping Cheng, Phys. Rev. B 68 115409 [13 pages] (2003)
48. Water-silica surface interactions: A combined quantum-classical molecular dynamic study of energetics and reaction pathways, Mao-Hua Du, Andrew Kolchin, and Hai-Ping Cheng, J. Chem. Phys. 119, 6418-6422 (2003).
47.Water-silica interactions in clusters, Mao-Hua Du, Lin-Lin Wang, Andrew Kolchin, and Hai-Ping Cheng, Euro Phys. J D 24, 323-326 (2003).
46.A transparent interface between classical molecular dynamics and the first-principles molecular dynamics, Mao-Hua Du and Hai-Ping Cheng, Internat. J Quantum Chem. 93, 1-8 (2003).
45. Optical properties and energetics of silicon ring-shaped clusters in amorphous SiO2, J.G. Polihronov, M. Hedstrom, R.E. Hummel and Hai-Ping Cheng, J. Lumin. 101, 55-62 (2003).
43. Structure, collective hydrogen transfer and formation of Si(OH)4 in SiO2-(H2O)n clusters, Hai-Ping Cheng, R.N. Barnett and Uzi Landman, J. Chem. Phys. 116, 9300 9304 (2002).
43.Orientation dependence in C60-surface impact collision, Qi-Heng Tang, Keith Runge, Hai-Ping Cheng, and Frank Harris, J. Phys. Chem. A 106, 893-896 (2002).
42.Semi-empirical calculation of the optical spectra of silica cluster in spark-processed silicon, J.G. Polihronov, M. Hedstrom, R.E. Hummel and Hai-Ping Cheng, J. Lumin. 96, 119-128 (2002)
41.Crossover in energy redistribution during C60@Xe144 surface impact, Mao-Hua Du and Hai-Ping Cheng, Phys. Rev. B 64, 193405 [4 pages] (2001).
40.Molecular Dynamics Simulation of Nano-scale Surface Modification of Si(111) via Local Excitation, Magnus Hedström and Hai-Ping Cheng, Phys. Rev. B 62, 2751- 2758 (2000).
39.Modified Surface Nano-explosion: Effects of Initial Condition and Charge Flow, and Magnus Hedström and Hai-Ping Cheng, J. Phys. Chem. B 104, 4633-4641 (2000).
38.Cluster-Surface Collisions: Characteristics of Xe55- and C20- Si [111] Surface Bombardment, Hai-Ping Cheng, J. Chem. Phys. 111, 7583-7592 (1999).
37.The Dynamics of Proton Transfer in a Water Chain, Raymond R. Sadeghi and Hai-Ping Cheng, J. Chem. Phys. 111, 2086-2094 (1999).
36.Characteristic of Sub-Kev atom-Si (111) surface Collisions, Magnus Hedström and Hai-Ping Cheng, Phys. Rev. B 59, 10701- 10706 (1999).
35.Water Clusters: Fascinating Hydrogen-Bond Networks, Solvation Shell Structures, and Proton Motion, Hai-Ping Cheng, J. Phys. Chem. A 102, 6201-6204 (1998).
34.A Quantum molecular dynamics study of the properties of NO+(H2O)n clusters, Ling Ye and Hai-Ping Cheng, J. Chem. Phys. 108, 2015-2023 (1998).
33.Surface Coulomb Explosions: The Influences of Initial Charge Distributions, Hai-Ping Cheng and J.D. Gillaspy, Compt. Material Science 9, 285-294 (1998). (shown on the cover page).
32.The Dynamics of Proton Transfer in H5O2+, Hai-Ping Cheng and Jeffrey L. Krause, J. Chem. Phys. 107, 8461-8467 (1997).
31.Nano-Modification of Silicon Surface via Coulomb Explosion, Hai-Ping Cheng and J.D. Gillaspy, Phys. Rev. B55, 2628-2636 (1997).
30.The Motion of Protons in Water-Ammonia Clusters, Hai-Ping Cheng, J. Chem. Phys. 105, 6844-6855 (1996).
29.Electrical and Mechanical Properties of Metallic Nanowires: Conductance Quantization and Localization, J.I. Pascual, J. Mendex, J. Gomez-Herrero, A. M. Baro, N. Garcia, and Uzi Landman, W.D. Luedtke, E.N. Bogachek and Hai-Ping Cheng, J. Vac. Sci. Technol., B13 1280-1284 (1995).
28.Properties of Metallic Nanowires: From Conductance Quatization to Localization J.I. Pascual, J. Mendex, J. Gomez-Herrero, A. M. Baro, N. Garcia, and Uzi Landman, W.D. Luedtke, E.N. Bogachek and Hai-Ping Cheng, Science, 267 1793-1795 (1995).
27.Studies of Excess Electrons in Sodium-Chloride Clusters and of Excess in Water Clusters, R.N. Barnett, Hai-Ping Cheng, H. Hakkinen and Uzi Landman, J. Phys. Chem. 99, 7731-7753 (1995).
26.All Quantum Simulations: H3O+ and H5O2+, Hai-Ping Cheng, R.N. Barnett and Uzi Landman, Chem. Phys. Lett. 237, 161-170 (1995).
25.Controlled Deposition and Glassification of Copper Clusters, Hai-Ping Cheng and Uzi Landman, J. Phys. Chem. 98, 3527-3537 (1994).
24.Controlled Deposition, Soft Landing, and Glass Formation in Nanocluster-Surface Collisions, Hai-Ping Cheng and Uzi Landman, Science 260,1304-1307 (1993).
23.Electronic Structure of Aluminum-Lithium Clusters, Hai-Ping Cheng, R.B. Barnett and Uzi Landman, Phys. Rev. B48, 1820-1824 (1993).
22.Energetics of Aluminum-Lithium Clusters, Hai-Ping Cheng, R.B. Barnett and Uzi Landman, Z. Phys. D26, 296-300 (1993).
21.Small is different, Uzi Landman, R.B. Barnett, C.L. Cleveland, and Hai-Ping Cheng, in Clusters and Fullerenes, edited by E. Tosatti, V.J. Kumar and T.P. Martin, (World Scientific, London, 1992), pp. 3623-3642.
20.Complete Thermodynamics and Statistics on Clusters, Hai-Ping Cheng, Xiuling Li, Robert L. Whetten and R. Stephen Berry, Phys. Rev. A 46, 791-800 (1992).
19.Electronic States and Structure of C76(D2), Hai-Ping Cheng and Robert L. Whetten, Chem. Phys. Lett.197, 44-48 (1992).
18.Surface melting of clusters and implications for bulk, Hai-Ping Cheng and R. Stephen Berry, Phys. Rev. A 45, 7969-7980 (1992).
17.Electronic Structure and Binding Energies of Aluminum Clusters, Hai-Ping Cheng, R. Stephen Berry and Robert L. Whetten, Phys. Rev. B43, 10647-10653 (1991).
16.Evidence for Quantized Electronic Level Structure for 100-1300 electrons in Metal-atomic clusters, John L. Persson, Robert L. Whetten, Hai-Ping Cheng and R. Stephen Berry, Chem. Phys. Lett. 186, 215-222 (1991).
15.Surface Melting and Surface Diffusion on Clusters, Hai-Ping Cheng and R. Stephen Berry, Materials Res.Soc., 206, (1991) pp. 241-252.
14.Transition Metal Cluster: Electronic Structure and Interaction with Hydrogen and Supports, D.E. Ellis, J. Guo, and Hai-Ping Cheng, Adv. in Quantum Chem. 22, 125-165 (1991).
13.Binding Energy and Interatomic Potentials of Transition Metal Clusters, Hai-Ping Cheng and D.E. Ellis, J. Chem. Phys. 94, 3735-3747 (1991).
12.Dynamics and Potential Surfaces of Small Clusters, R.S. Berry, P. Braier, R.J. Hinde and Hai-Ping Cheng, Israel J. Chem. 30, 39-44 (1990).
11.Freezing and Melting of Metallic and Salt-Like Clusters, R. S. Berry, Hai-Ping Cheng and J. Rose, High-Temp. Sci. 27, 61-76 (1989).
10.Use of First-Principles Potentials in Modeling Structure and Thermo-dynamics of Fe-Ni Alloys, Hai-Ping Cheng and D.E. Ellis, Phys. Rev. B39, 12469-12483 (1989).
9.Cluster Approach to Structure of Surfaces and Chemisorption, D.E. Ellis, J. Guo and Hai-Ping Cheng, J. Phys. Chem. 92, 3024-3028 (1988).
8.Molecular Dynamics Study of a Two-dimensional System with Screened Coulomb Interactions, Hai-Ping Cheng, P. Dutta and D.E. Ellis, and R. Karlia, J. Chem. Phys. 85, 2232-2236 (1986).

Refereed Proceedings

7.Large Scale Molecular Dynamics Simulation of a Surface Coulomb Explosion, Hai-Ping Cheng and J.D. Gillaspy, in Application of Accelerators in Research and Industry, Proceedings of the Fourteenth International Conference AIP conference Proceedings 392, edited by J.L. Duggan and I.L. Morgan (AIP Press, Woodbury, New York, 1997) pg. 197-200.
6.Quantum Mechanical Simulations of Water and Ammonia Molecules and Their Clusters, Hai-Ping Cheng, R.N. Barnett, and Uzi Landman, Intl. J. Quant. Chem. 29, 615-620 (1995).
5.Simulations of Materials: Clusters and Interfacial Junctions, Uzi. Landman, R.N. Barnett, Hai-Ping Cheng, C.L. Cleveland and W.D. Luedtke, in Computations For the Nano-scale, NATO Sci. Series E240, edited by P.E. Blöchl, C. Joachim, and A.J. Fisher (Kluwer, Dodrecht, 1993), p.75-113.
4.Cluster Simulations: Melting and Sintering, R.S. Berry, Hai-Ping Cheng, and J. P. Rose, in On Clusters and Clustering: From Atoms to Fractals, edited by P.J. Reynolds, (North-Holland, Amsterdam, 1993), pp.227-236.
3.Phase changes for clusters and for bulk matter, R. Stephen Berry and Hai-Ping Cheng, in 'Physics and Chemistry of Finite Systems: from Clusters to Crystals', NATO ASI Series C, vol. 374, edited by P. Jena, S.N. Khanna and R.K. Rao (Kluwer Academic Publisher, Dordrecht, (1992) pp. 277-286.
2.Local Density Models for Bare and Ligated Transition Metal Cluster, D.E. Ellis, Hai-Ping Cheng, and G.F. Holland, in 'Physics and Chemistry of Small Clusters' (Plenum Press, New York, 1987) pp. 881-890.
1.Electronic Structure, Cohesion, and Effective Interatomic Potentials in Small Transition Metal Particles, D.E. Ellis and Hai-Ping Cheng, in 'Microclusters', Springer Series in Materials Science 4, Edited by S. Sugano, Y. Nishina and S.Ohnishi (Springer, Berlin, 1987) pp. 63-69.

Movies for scientific visualization:

40. Coulomb Explosion on Si[111] Surfaces, director: Hai-Ping Cheng, QVS UF, 1996.

39. Proton Transfer in Water-ammonia Clusters, director: Hai-Ping Cheng, QVS UF, 1995.