材料科学与工程学院

发表论文

近年来系统研究了有机分子修饰的金属材料的微观结构及其在功能材料设计与应用中的重要意义。研究成果包括发表于SCI刊物如Acc. Chem. Res.，Nature Commun.，Adv. Mater.，Phys. Rev. Lett.，J. Am. Chem. Soc.，Acta Mater.等学术论文52篇。在国际国内学术会议做邀请报告十余次。Google Scholar总引用超过1500余次，详见https://scholar.google.com/citations?user=9FaJQhIAAAAJ&hl=en。

W. Liu, B. Schuler, Y. Xu, N. Moll, G. Meyer, L. Gross, and A. Tkatchenko, Identical binding energies and workfunctions for distinct adsorption structures: Olympicenes on the Cu(111) surface,J. Phys. Chem. Lett. (DOI: 10.1021/acs.jpclett.6b00223).

Z. Ding, W. Liu*, S. Li, D. Zhang, Y. H. Zhao, E. J. Lavernia, and Y. T. Zhu, Contribution of van der Waals forces to the plasticity of magnesium, Acta Mater. 107 (2016) 127-132.

J. Zhou, Y. Liu, Z. Zhang, S. Yang, J. Tang*, W. Liu*, and W. H. Tang*, Cyclodextrin-clicked silica/CdTe fluorescent nanoparticles for enanioselective recognition of amino acids, Nanoscale(DOI: 10.1039/C5NR09070A).

L. Tang, W. Liu*, Z. Ding, D. Zhang, Y. H. Zhao*, E. J. Lavernia, and Y. T. Zhu, Alloying Mg with Gd and Y: Increasing both plasticity and strength, Comput. Mater. Sci. 115 (2016) 85-91.

S. Zhang, M. Xie, F. Li, Z. Yan, Y. Li, E. Kan, W. Liu, Z. Chen, and H. Zeng, Semiconducting group 15 monolayers: A broad range of band gaps and high carrier mobilities, Angew. Chem. 55(2016) 1666-1669.

V. Ruiz, W. Liu, and A. Tkatchenko, Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces, Phys. Rev. B 93 (2016) 035118.

Y. Wu, S. Li, Z. Ding, W. Liu, Y. H. Zhao, and Y. T. Zhu, Effect of charge redistribution factor on stacking-fault energies of Mg-based binary alloys, Scripta Mater. 112 (2016) 101-105.

K.-H. Dostert, C. P. O’Brien, W. Liu, W. Riedel, A. A. Savara, A. Tkatchenko, S. Schauermann, and H.-J. Freund, Adsorption of isophorone and trimethyl-cyclohexanone on Pd(111): A combination of infrared reflection absorption spectroscopy and density functional theory studies,Surf. Sci. (DOI:10.1016/j.susc.2016.01.026).

W. Liu, F. Maass, M. Willenbockel, C. Bronner, M. Schulze, S. Soubatch, F. S. Tautz, P. Tegeder, and A. Tkatchenko, Quantitative prediction of molecular adsorption: Structure and binding of benzene on coinage metals, Phys. Rev. Lett. 115 (2015) 036104.

J. Camarillo-Cisneros⁺, W. Liu⁺, and A. Tkatchenko, Steps or Terraces? – Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces, Phys. Rev. Lett. 115 (2015) 086101.

S. Li, Y. Wu, Y. Tu, Y. Wang, T. Jiang, W. Liu*, and Y. H. Zhao*, Defects in silicene: Vacancy clusters, extended line defects, and di-adatoms, Sci. Rep. 5 (2015) 7881.

Y. Jiang, S. Li, W. Liu*, and Y. H. Zhao, Highly sensitive CO gas sensor from defective graphene: Role of van der Waals interactions, J. Nanomater. 2015 (2015) 504103.

Z. Ding, S. Li, W. Liu*, and Y. H. Zhao*, Modeling of stacking fault energy in hexagonal close-packed metals, Adv. Mater. Sci. Eng. 2015 (2015) 639519.

Y. Lin, H. Wen, Y. Li, B. Wen, W. Liu, and E. J. Lavernia, An analytical model for stress-induced grain growth in the presence of both second-phase particles and solute segregation at grain boundaries, Acta Mater. 82 (2015) 304.

H. Zhao, S. Zhang, S. Li, X. Song, W. Liu, B. Liu, and M. Dong, Investigation of the non-covalent interactions of molecular self-assembly by scanning tunnelling microscopy using the association of aromatic structures in pyrene-4,5,9,10-tetraone and phenanthrene-9,10-dione molecules, RSC Adv. 5 (2015) 103316-103320.

W. Liu, A. Tkatchenko, and M. Scheffler, Modeling adsorption and reactions of organic molecules at metal surfaces, Acc. Chem. Res. 47 (2014) 3369-3377.

S. Li, Y. Wu, W. Liu*, Y. H. Zhao*, Control of band structure of van der Waals heterostructures: Silicene on ultrathin silicon nanosheets, Chem. Phys. Lett. 609 (2014) 161-166.

J. Carrasco, W. Liu, A. Michaelides, and A. Tkatchenko, Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces, J. Chem. Phys. 140 (2014) 084704.

Y. Lin, H. Wen, Y. Li, B. Wen, W. Liu, and E. J. Lavernia, Stress-induced grain growth in an ultra-fine grain Al alloys, Metall. Mater. Trans. A 45 (2014) 2673-2688.

R.-R. Juan Carlos, S. Cassandra, W. Liu, A. Tkatchenko, C. Friend, and R. Madix, van der Waals interactions determine selectivity in catalysis by metallic gold, J. Am. Chem. Soc. 136 (2014) 13333-13340.

K.-H. Dostert, C. P. O’Brien, W. Riedel, A. Savara, W. Liu, M. Oehzelt, A. Tkatchenko, and S. Schauermann, Interaction of isophorone with Pd(111): A combination of IRAS, NEXAFS and DFT studies, J. Phys. Chem. C 118 (2014) 27833-27842.

W. Liu, S. N. Filimonov, J. Carrasco, and A. Tkatchenko, Molecular switches from benzene derivatives adsorbed on metal surfaces, Nature Commun. 4 (2013) 2569.

W. Liu, V. G. Ruiz, G.-X. Zhang, B. Santra, X. Ren, M. Scheffler, and A. Tkatchenko, Structure and energetics of benzene adsorbed on transition-metal surfaces: Density-functional theory with van der Waals interactions including collective substrate response, New J. Phys. 15 (2013) 053046.

B. Schuler, W. Liu, A. Tkatchenko, N. Moll, G. Meyer, A. Mistry, D. Fox, and, L. Gross, Adsorption geometry determination of single molecules by atomic force microscopy, Phys. Rev. Lett. 111 (2013) 106103.

G. Mercurio, R. J. Maurer, W. Liu, S. Hagen, F. Leyssner, P. Tegeder, J. Meyer, A. Tkatchenko, S. Soubatch, K. Reuter, F. S. Tautz, Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111), Phys. Rev. B88(2013) 035421.

W. Liu, A. Savara, X. Ren, W. Ludwig, K.-H. Dostert, S. Schauermann, A. Tkatchenko, H.-J. Freund, and M. Scheffler, Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111), J. Phys. Chem. Lett. 3 (2012) 582586. (Highlighted in the homepage of JPCL)

W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko, Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding, Phys. Rev. B86 (2012) 245405.

V. G. Ruiz, W. Liu, E. Zojer, M. Scheffler, and A. Tkatchenko, Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems, Phys. Rev. Lett. 108 (2012) 146103.

W. Liu, Y. F. Zhu, and Q. Jiang, Oxidation behaviour of CO catalyzed by several decahedral Au clusters: Role of cluster stability and electric field, J. Phys. Chem. C 114 (2010) 21094-21099.

W. Liu, Q. Jiang, DFT study on electric field induced structure variations, binding and catalytic properties in several low-dimensional systems, J. Comput. Theor. Nanosci. 7 (2010) 2225-2261. (Invited review)

Y. Li, W. Liu, V. Ortalan, W. F. Li, Z. Zhang, R. Vogt, N. D. Browning, E. J. Lavernia, J. M. Schoenung, HRTEM and EELS study of aluminum nitride in nanostructured Al 5083/B4C processed via cryomilling, Acta Mater. 58 (2010) 1732-1740.

Y. Li, Y. H. Zhao, W. Liu, Z. H. Zhang, R. G. Vogt, E. J. Lavernia, J. M. Schoenung, Deformation twinning in boron carbide particles within nanostructured Al 5083/B4C metal matrix composites, Philos. Mag. 90 (2010) 783-792.

Y. H. Zhao, Q. Zhan, T. D. Topping, Y. Li, W. Liu, E. J. Lavernia, Improving ductility in ultrafine grained nickel with porosity and segregation via deformation, Mater. Sci. Eng. A 527 (2010) 1744-1750.

W. Liu, Y. H. Zhao, R. Q. Zhang, Y. Li, E. J. Lavernia, and Q. Jiang, Oxidation of CO catalyzed by a Cu cluster: Influence of an electric field, ChemPhysChem. 10 (2009) 3295-3302.

W. Liu, Y. H. Zhao, Y. Li, E. J. Lavernia, Q. Jiang, A reversible switch for hydrogen adsorption and desorption: electric fields, Phys. Chem. Chem. Phys. 11 (2009) 9233-9240.

W. Liu, Y. H. Zhao, J. Nguyen, Y. Li, Q. Jiang, E. J. Lavernia, Electric field induced reversible switch in hydrogen storage based on single-layer and bilayer graphenes, Carbon47 (2009) 3452-3460.

W. Liu, Y. H. Zhao, Y. Li, Q. Jiang, E. J. Lavernia, Enhanced hydrogen storage on Li-dispersed carbon nanotubes, J. Phys. Chem. C113(2009) 2028-2033. (Highlighted in the homepage of JPCC)

Y. Li, Y. H. Zhao, V. Ortalan, W. Liu, Z. H. Zhang, R. G. Vogt, N. D. Browning, E. J. Lavernia, J. M. Schoenung, Investigation of aluminium-based nanocomposites with ultra-high strength, Mater. Sci. Eng. A 527 (2009) 305-316.

F. Chen, Y. Li, W. Liu, Q. Shen, L. Zhang, Q. Jiang, E. J. Lavernia, J. M. Schoenung, Synthesis of alpha silicon nitride single-crystalline nanowires by nitriding cryomilled nanocrystalline silicon powder, Scripta Mater.60 (2009) 737-740.

W. Liu, D. Liu, W. T. Zheng, Q. Jiang, Size and structural dependence of cohesive energy in Cu,J. Phys. Chem. C 112 (2008) 18840-18845.

W. Liu, Y. H. Zhao, E. J. Lavernia, Q. Jiang, Size-dependent deformation and adsorption behavior of carbon monoxide, hydrogen, and carbon on pyramidal copper clusters, J. Phys. Chem. C112 (2008) 7672-7677.

Y. H. Zhao, T. Topping, J. F. Bingert, A. M. Dangelewicz, Y. Li, W. Liu, Y. T. Zhu, Y. Z. Zhou and E. J. Lavernia, High Tensile Ductility and Strength in Bulk Nanostructured Nickel, Adv. Mater.9999 (2008) 1-6.

Y. Li, Y. H. Zhao, Z. H. Zhang, W. Liu, V. Ortalan, Y. Z. Zhou, X. L. Ma, E. J. Lavernia, SnO₂nanobelts and nanocrystals: Synthesis, characterization and optical properties, J. Cryst. Growth310 (2008) 4226-4232.

W. Liu, J. S. Lian, Q. Jiang, Theoretical study of C₂H₂ adsorbed on low-index Cu surfaces,J. Phys. Chem. C111 (2007) 18189-18194.

W. Liu, Y. F. Zhu, J. S. Lian, Q. Jiang, Adsorption of CO on surfaces of 4d and 5d elements in group VIII, J. Phys. Chem. C 111 (2007) 1005-1009.

W. Liu, W. T. Zheng, Q. Jiang, First principle study of the surface energy and work function of III-V semiconductor compounds, Phys. Rev. B75 (2007) 235322.

W. Liu, J. C. Li, W. T. Zheng, Q. Jiang, NiAl(110)/Cr(110) interface: A density functional theory study, Phys. Rev. B 73 (2006) 205421.

W. Liu, X. Liu, W. T. Zheng, Q. Jiang, Surface energies of several ceramics with NaCl structure,Surf. Sci.600 (2006) 257-264.

J. C. Li, W. Liu, Q. Jiang, Bi-phase transition diagrams of metallic thin multilayers, Acta Mater. 53 (2005) 1067-1071.

J. C. Li, W. Liu, Q. Jiang, Reconstruction possibility of fcc (111) metallic surfaces, Mater. Lett.59 (2005) 1907-1909.

J. C. Li, W. Liu, Q. Jiang, The critical layer number of epitaxially grown Cu and Ni films with strained structure, Appl. Surf. Sci. 239 (2005) 259-261.

J. C. Li, W. Liu, Q. Jiang, Critical misfit of epitaxial growth metallic thin films, T. Nonferr. Metal. Soc. 15 (2005) 419-422.

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