研究生导师刘永军：山东大学

　　共发表论文70余篇,近年发表的论文有:

　　29) Addition Reaction of Nitrones on the Reconstructed Si(100)-2x1 Surface
　　Liu, Y. J.; Wang, Z. G.
　　J. Phys. Chem. C 2007, 111，4673

　　28) Theoretical study on Adsorption of Na+ and Na+(H2O)n(n=1-6) on clean Si(111) surface
　　Liu, Y. J.; Wang, Z.G.; Suo, Y. R.
　　J. Phys. Chem. C 2007, 111, 3427

　　27) Theoretical Study on Adsorption of Au+ and Hydrated Au+ Cations on Clean Si(111) Surface
　　Liu, Y. J.; Liu, Y.; Wang, H. L.; Suo, Y. R.
　　Surface Science, 2007, 601, 1265

　　26) Theoretical Study on the Mechanism for the Addition Reaction of SiH3 with Propylene and Acetic Acid
　　Liu, Y. J.; Wang, Z.G.; Suo, Y. R.
　　J. Phys. Chem. A 2006, 110, 12439-12442

　　25) Theoretical Study of Interaction between Atoms of Au, Ag, Cu and clean Si(111) surface
　　Liu, Y. J.; Li, M. H.; Suo, Y. R.
　　Surface Science, 2006, 600, 5117-5122

　　24) Interaction of Hg atom with bare Si(111) Surface
　　Liu, Y, J.; Liu, Y.
　　Chin. J. Struct. Chem. 2006, 25, 1475-1480

　　23)Versatile portable device for solid-states electrical measurements of “soft” materials
　　Asanuma, H.; Liu, Y. J.; Yu, H. Z.
　　Japan. J. Appl. Phys. 2005, 44, 1991

　　22) Structure and Reactivity of Mixed on Silicon-FTIR-ATR Spectroscopy and Contact Angle Titration
　　Liu, Y. J.; Neenah M. Navasero; Yu, H. Z.
　　Langmuir. 2004, 20, 4039-4050

　　21)Molecular Modification of Classical Metal-Semiconductor Diodes: Alkylation, Oxidation, and Akylsiloxanation
　　Liu, Y. J.; Yu, H. Z.
　　J. Phys. Chem. B 2003, 107, 7803-7811...

　　共发表论文70余篇,近年发表的论文有:

　　29) Addition Reaction of Nitrones on the Reconstructed Si(100)-2x1 Surface
　　Liu, Y. J.; Wang, Z. G.
　　J. Phys. Chem. C 2007, 111，4673

　　28) Theoretical study on Adsorption of Na+ and Na+(H2O)n(n=1-6) on clean Si(111) surface
　　Liu, Y. J.; Wang, Z.G.; Suo, Y. R.
　　J. Phys. Chem. C 2007, 111, 3427

　　27) Theoretical Study on Adsorption of Au+ and Hydrated Au+ Cations on Clean Si(111) Surface
　　Liu, Y. J.; Liu, Y.; Wang, H. L.; Suo, Y. R.
　　Surface Science, 2007, 601, 1265

　　26) Theoretical Study on the Mechanism for the Addition Reaction of SiH3 with Propylene and Acetic Acid
　　Liu, Y. J.; Wang, Z.G.; Suo, Y. R.
　　J. Phys. Chem. A 2006, 110, 12439-12442

　　25) Theoretical Study of Interaction between Atoms of Au, Ag, Cu and clean Si(111) surface
　　Liu, Y. J.; Li, M. H.; Suo, Y. R.
　　Surface Science, 2006, 600, 5117-5122

　　24) Interaction of Hg atom with bare Si(111) Surface
　　Liu, Y, J.; Liu, Y.
　　Chin. J. Struct. Chem. 2006, 25, 1475-1480

　　23)Versatile portable device for solid-states electrical measurements of “soft” materials
　　Asanuma, H.; Liu, Y. J.; Yu, H. Z.
　　Japan. J. Appl. Phys. 2005, 44, 1991

　　22) Structure and Reactivity of Mixed on Silicon-FTIR-ATR Spectroscopy and Contact Angle Titration
　　Liu, Y. J.; Neenah M. Navasero; Yu, H. Z.
　　Langmuir. 2004, 20, 4039-4050

　　21)Molecular Modification of Classical Metal-Semiconductor Diodes: Alkylation, Oxidation, and Akylsiloxanation
　　Liu, Y. J.; Yu, H. Z.
　　J. Phys. Chem. B 2003, 107, 7803-7811.

　　20) Effect of Organic Contamination on the Electrical Degradation of Hydrogen-Terminated Silicon upon Exposure to Air under Ambient Conditions
　　Liu, Y. J.; Yu, H. Z.
　　J. Electrochem. Soc. 2003, 150(2). G861-G865

　　19) Alkyl Monolayer Passivated Metal-Semiconductor Diodes: II. In Comparison with Native Silicon Oxide
　　Liu, Y. J.; Yu, H. Z.
　　ChemPhysChem. 2003, 4, 335-342.

　　18) Impact of Organic Contamination on the Electrical Properties of Hydrogen-Terminated Silicon under Ambient Conditions
　　Liu, Y. J.; Damien, M. W.; Yu, H. Z.
　　Appl. Phys. Lett. 2002, 81, 4967-4969.

　　17) Alkyl Monolayer Passivated Metal-Semiconductor Diodes: Molecular Tunability and Electron Transport
　　Liu, Y. J.; Yu, H. Z.
　　ChemPhysChem. 2002, 3, 799-802.

　　16) Theoretical studies on the structures, electronic spectra and second-order nonlinear opyical properties of 6, 7, 8, 9-4H-phenazino[2,3] C60 derivatives (in Chinese)
　　Liu, Y. J.; Liu, C. B.; Yang, G.. S.
　　Chin. J. Struct. Chem. 2002, 21, 191-196

　　15) Inner-Sphere Reorganization for Redox Paire M(NH3)62+/3+ (M=Mn, Fe, and Co): Models and Calculations
　　Zhang, D. J.; Liu, Y. J.; Hu, H. Q.
　　Int. J. Quantum Chem. 2002, 86, 468-477.

　　14) ZINDO-SOS study of Second-order Nonlinear Optical Properties of Thiophene S, S-dioxides Chromophores
　　Liu, Y. J.; Hu, H. Q.; Liu, C. B.
　　Chem. Res. Chin. Univ. 2002, 18, 42-46

　　13) Theoretical investigation on structures and second-order nonlinear optical properties of (thiophene) manganese tricarbonyl cations
　　Liu,Y.; Geng, Y.H.; Liu, Y. J.; Liu, C. B.
　　Chin. Chem. Lett. 2002, 13, 45-48

　　12) The electronic spectra and first-order hyperpolarizability of 4-(dicyanomethyl?ene)-2,6-bis-(2-thiophene-vinyl)-pyran derivatives.

　　Liu, Y. J.; Liu, Y.; Zhao, X.; Liu, C. B.
　　Int. J. Quantum Chem. 2001, 82, 65-72

　　11) Theoretical studies on electronic spectra and second-order nonlinear optical prop?erties of N-methyl -2 (-2-thiophene)-pyrrolo [3,4] C60.
　　Liu, Y. J.; Zhang, D. J.; Liu, C. B.
　　J. Mol. Struct. (THEOCHEM) 2001, 545, 97-103

　　10) Theoretical investigation on second-order nonlinear optical properties of (dicya?nomethylene)-pyran derivatives.
　　Liu, Y. J.; Liu, Y.; Liu, C. B.
　　J. Mol. Struct. 2001, 570, 43-51

　　9) Theoretical investigation on two-photon absorption properties of (dicyanomethylene)-pyran derivatives
　　Zhou, Y. F.; Liu, Y. J.; Zhao, X.; Liu, C. B.
　　J. Mol. Struct. (THEOCHEM) 2001, 545, 61-65

　　8) Effect of structural and chemical parameters on magnetic coupling in hydroxo-bridged Cu (II)dimer
　　Hu, H. Q.;Liu, Y. J.; Zhang, D. J.; Liu, C. B.
　　J. Mol. Struct. (THEOCHEM) 2001, 546, 73-78

　　7) Theoretical study on second-order nonlinear optical properties of substitute thi?azole derivatives.
　　Liu, Y. J.; Liu Ying, Liu, C. B.
　　J. Chin. Chem. 2001, 19, 332-339

　　6) Theoretical study on second-order nonlinear optical properties of new type of multicharge-transfer chromophores(in Chinese)
　　Liu, Y. J.; Liu Ying, Zhao, X.; Liu, C. B.
　　Acta Chim. Sin. 2001, 59, 48-55

　　5) Theoretical Investigation on Electronic Spectra and Second-Order Nonlinear Optical Properties of N-Methyl-Pyrrolo[3,4]C60 Derivatives (in Chinese)
　　Liu, Y. J.; Liu, C. B.
　　Acta Chim. Sin. 2001, 59, 906-912

　　4) Theoretical study on second-order nonlinear optical properties of diazadistyrene derivatives (in Chinese)
　　Liu, Y. J.; Liu Ying, Liu, C. B.
　　Chem. J. Chin. Univ. 2001, 22, 1016-1018

　　3) Magnetic Coupling Mechanism in Singly Bridged Binuclear Systems
　　Hu, H. Q.; Zhang, D.J.; Liu, Y. J.; Liu, C. B.
　　Chem. Phys. Lett. 2001, 340, 370-375

　　2) Theoretical studies on electronic spectra and second-order nonlinear optical prop?erties of N-methyl -2 (-2’-thiophene)-pyrrolo [3,4] C60.
　　Liu, Y.; Liu, Y. J.; Liu, C. B.
　　Chin. Chem. Lett. 2001, 12, 719-72

　　1) Theoretical investigation on second-order nonlinear optical properties of substi?tude benzothiazole derivatives,
　　Liu, Y. J.; Liu, Y.; Liu, C. B.
　　Theo. Exp. Chem. 2000, 333-340