2024
[13] D. Wen, J. Feng*, R. Deng, K. Li*, H. Zhang*, Zn/Pt dual-site single-atom driven difunctional superimposition-augmented sonosensitizer for sonodynamic therapy boosted ferroptosis of cancer, Nat. Commun. 15 (2024) 9359.
[12] C. Zhan+, H. Sun+, W. Yan, J. Xia, X. Meng, T. Li, L. Bu, Q. Kong, H. Lin, W. Liu, X. Huang*, N. Chen*, A Biphasic Strategy to Synergistically Accelerate Activation and COSpillover in Formic Acid Oxidation Catalysis, Nano Lett. 24 (2024) 8134-8142.
[11] J. Wang, H. Sun, Y. Chen, Z. Ding*, J. Nie*, W. Liu*, Investigating coherent and semi-coherent interfacial structures and energetics in Al/Al3BC interfaces: Theoretical insights into aluminum matrix composites bonding, Appl. Surf. Sci. 673 (2024) 160892.
[10] A. Jiang, C. Chen, J. Feng, Q. Li*, W. Liu*, M. Dong*, Boosting electrocatalytic hydrogen evolution via partial oxidation of rhenium through cobalt modification in nanoalloy structure, J. Colloid Interf. Sci. 677 (2024) 617-625.
[9] Y. Wang, C. Chen, X. Xiong, S. A. Skaanvik, Y. Zhang, E. D. Bøjesen, Z. Wang*, W. Liu* and M. Dong*, In Situ Tracking of Water Oxidation Generated Nanoscale Dynamics in Layered Double Hydroxides Nanosheets, J. Am. Chem. Soc. 146 (2024) 17032-17040.
[8] J. Li, Y. Yang, Q. Yu, G. Su*, W. Liu*, Development and prospects in the structure and performance of lanthanide single-molecule magnets, J. Phys. Chem. C 128 (2024) 4882-4890 (invited perspective).
[7] Y. Peng, Z. Ding, G. Su*, H. Hou* and W. Liu*, Solidification process of ABO3-type perovskites: kinetic two-phase growth method with optimized potential, J. Mater. Sci. Technol. 205 (2024) 204-211.
[6] Y. Zhang+, S. Yang+*, Y. Yang, J.-C. Ren, C. J. Butch, L. Wang, and W. Liu*, Rapid Prediction of Energy Level Alignment and Conductance of Single-Molecule Junctions through Intramolecular Dipole Moment, Adv. Funct. Mater. (2024) 2403836.
[5] S. Yang, X. Wang, H. Chu, and W. Liu*, Electrode-supported endohedral metallofullerenes: Insights into the confined internal dynamics, Inorg. Chem. 63 (2024) 6836-6844.
[4] J. Zhou, S. Yang, Y. Zhang, J.-C. Ren*, and W. Liu*, Effective descriptor for screening single-molecule conductance switches, J. Am. Chem. Soc. 146 (2024) 6962-6973.
[3] J. Liu, T. Shen, L. Wang, J.-C. Ren, W. Liu*, S. Li*, An efficient descriptor for rapid determination of dipole moments and band alignments of 2D Janus transition-metal dichalcogenides, Adv. Funct. Mater. (2024) 2401737.
[2] H. R. Sun+, Z. Ding+, H. Sun, J. Zhou, J.-C. Ren, Q. Hu, and W. Liu*, An efficient scheme for accelerating the calculation of stacking fault energy in multi-principal element alloys, J. Mater. Sci. Technol. 175 (2024) 204-211.
[1] X. Xie#, Y. Zhang#, J. Zhang, X. Cui, W. Liu*, X. S. Liu*, Regularly tuning quantum interference in single-molecule junctions through systematic substitution of side groups with varied electron effects, Chin. J. Chem. 42 (2024) 1217-1222.
2023
[1] M. Fang, J. Han, S. He, J.-C. Ren*, S. Li*, and W. Liu*, Effective screening descriptor for MXenes to enhance sulfur reduction in lithium-sulfur batteries, J. Am. Chem. Soc. 145 (2023) 12601-12608
.
[2] H. Sun+, G. Su+, Y. Zhang+, J.-C. Ren, X. Chen, H. Hou, Z. Ding*, T. Zhang*, W. Liu*, First-principles modeling of the anodic and cathodic polarization to predict the corrosion behavior of Mg and its alloys, Acta Mater. 244 (2023) 118562.
[3] Z. Ding, J. Zhou, P. Yang, H. Sun, J.-C. Ren, Y. H. Zhao, W. Liu*, Accelerated exploration of high-performance multi-principal element alloys: Data-driven high-throughput calculations and active learning method, Mater. Res. Lett. 11 (2023) 670-677.
[4] J.-C. Ren+, J. Zhou+, C. J. Butch*, Z. Ding, S. Li, Y. H. Zhao, and W. Liu*, Predicting single-phase solid solutions in as-sputtered high entropy alloys: High-throughput screening with machine-learning model, J. Mater. Sci. Technol. 138 (2023) 70-79.
[5] J. Liu, T. Shen, J.-C. Ren, S. Li,* and W. Liu*, Role of van der Waals Interactions on the Binding Energies of 2D Transition-Metal Dichalcogenides, Appl. Surf. Sci. 608 (2023) 155163.
[6] J.-C. Ren+, J. Han+, P. Yu, J. Zhou, T. Ren, W. Liu*, S. Li*, MnNi@NG: A highly promising cathode for accelerating sulfur redox kinetics in lithium-sulfur batteries, J. Phys. Chem. C 127 (2023) 23156-23163.
[7] J.-C. Ren, J. Zhou, S. Li, and W. Liu*, Theoretical insights into the adsorption of rare-earth-containing single molecule magnets on solid surfaces, J. Phys. Chem. C 127 (2023) 15699. (Invited perspective)
[8] Liu, X.+, Cheng, P.+, Li, S.*, Liu, W.*, Designing a Dipole-Scheme Heterostructure Based on Janus TMDCs for Highly Efficient Photocatalytic Overall Water Splitting, Adv. Mater. Interfaces 2023, 10, 2300170.
[9] Z. Ding, H. Hou, W. Liu*, J. Kan, Y. Sun, and F. Liu*, Quantitative determination of the generalized stability of Fe-based binary alloys, Materialia 28 (2023) 101712.
[10] C. Dong, X. Wang, Z. Zhu, C. Zhan, X. Lin, L. Bu*, J. Ye, Y. Wang, W. Liu*, X. Q. Huang*, Highly selective synthesis of monoclinic-phased platinum-tellurium nanotrepang for direct formic acid oxidation catalysis, J. Am. Chem. Soc. 145 (2023) 15393.
[11] C. Zhan+, L. Bu+, H. R. Sun+, X. Huang+, Z. Zhu, T. Yang, H. Ma, L. Li, Y. Wang, H. Geng, W. Wang, H. Zhu, C.-W. Pao, Q. Shao, Z. Yang*, W. Liu*, Z. Xie, X. Q. Huang*, Medium/high-entropy amalgamated core/shell nanoplate achieves efficient formic acid catalysis for direct formic acid fuel cell, Angew. Chem. Int. Ed. 62 (2023) e202213783.
[12] G. Sun, Z. Tai, F. Li, Q. Ye, T. Wang, Z. Fang, L. Jia, W. Liu*, H. Q. Wang*, Construction of ZnIn2S4/CdS/PdS S-scheme heterostructure for efficient photocatalytic H2 production, Small 19 (2023) 2207758.
[13] Y. Xu+, J. Jian+, G. Su+, W. Liu*, S. Wang, Y. Shuang, F. Li, L. Jia*, D. Friedrich, R. van der Krol, H. Q. Wang*, Bulk embedding of ferroelectric nanodomains in CuBi2O4 photocathodes enables boosted photoelectrochemical hydrogen generation, Adv. Funct. Mater. 33 (2023) 2213568.
[14] B. Xu+, S. Yang+, Y. Li*, H. Li, Z.-Y. Sun, X.-Y. Sun, J. Zhang, J.-K. Qin, P.-A. Hu, L. Zhen, W. Liu*, and C. Y. Xu*, Alleviation of Schottky barrier heights at TMDs/metal interfaces with a tunneling layer of semiconducting InSe nanoflake, Appl. Surf. Sci. 636 (2023) 157853.
[15] C. Zhan+, H. R. Sun+, L. Lü, L. Bu*, L. Li, Y. Liu, T. Yang, W. Liu, X. Huang*, Zinc Intercalated Lattice Expansion of Ultrafine Platinum–Nickel Oxygen Reduction Catalyst for PEMFC, Adv. Funct. Mater. 33 (2023) 2212442.
Before 2023
[1] S. Yang, and W. Liu*, CRC book chapter, Nanostructured hybrid, magnetic materials, Book: Fundamentals of Low Dimensional Magnets, 1st Edition, Page 111-124, Publisher: CRC Press, 2022.
[2] T. Shen, J. Liu, X. Liu, P. Cheng, J.-C. Ren*, S. Li*, W. Liu*, Electric field screening in gate-tunable van der Waals 2D-metal/InSe junction, Adv. Funct. Mater., 32 (2022) 2207018.
[3] Y. Han+, G. Su+, J. Zhou, J.-C. Ren, F. Xue, H. Hou, J. Mei*, W. Liu*, T. Zhang*, Modeling of the cathodic and anodic polarization curves of metals and alloys at an electronic level, J. Mater. Chem. A, 10 (2022) 17652-17658.
[4] J. Li, G. Su, S. Yang, X. Zhang, J.-C. Ren, C. J. Butch*, H. Q. Wang*, W. Liu*, Effect of single-atom defects on metal surfaces on porphycene tautomerization, J. Phys. Chem. C 126 (2022) 4871-4878.
[5] X. Xiao+, C. Chen+, Y. Zhang, H. Kong, R. An, S. Li, W. Liu*, and Q. Ji*, Chiral recognition on bare gold surface by quartz crystal microbalance, Angew. Chem. 60 (2021) 25028-25033.
[6] W. Liu*+, S. Yang+, J. Li+, G. Su, J.-C. Ren, One molecule, two states: Single molecular switch on metallic electrodes, Wires: Comput. Mol. Sci. 11 (2021) e1511; invited review paper by Prof. Jinlong Yang.
[7] X. Liu, P. Cheng, X. Zhang, T. Shen, J. Liu, J-C. Ren, H.-Q. Wang*, S. Li*, and W. Liu*, Enhanced solar-to-hydrogen efficiency for photocatalytic water splitting based on a polarized heterostructure: the role of intrinsic dipoles in heterostructures, J. Mater. Chem. A 9 (2021) 14515.
[8] X. Duan+, J.-C. Ren+*, X. Zhang, S. Li, and W. Liu*, Room-temperature thermoelectric conversion by dipole-enhanced Rashba spin-orbit coupling, Cell Reports Physical Science, 2 (2021) 100284.
[9] C. Chen, S. Yang, G. Su, J. Li, J.-C. Ren, and W. Liu*, Conductance switching in molecular self-assembled monolayers for application of data storage, J. Phys. Chem. C 125 (2021) 1069-1074.
[10] W. Liu*, Transition metal ditellurides make for better 2D contacts, Nat. Electron. 3 (2020) 187-188. invited News & Views.
[11] H. Zhou, Y. Zhao, J. Xu, H. R. Sun, Z. Li, W. Liu*, T. Yuan, W. Liu, X. Wang, W.-C. Cheong, Z. Wang, X. Wang, C. Zhao, Y. Yao, W. Wang, F. Zhou, M. Chen, B. Jin, R. Sun, J. Liu, X. Hong, T. Yao, S. Wei, J. Luo*, Y. E. Wu*, Recover the activity of sintered supported catalysts by nitrogen-doped carbon atomization, Nat. Commun. 11 (2020) 335.
[12] J. Liu, J.-C. Ren, T. Shen, X. Liu, C. J. Butch, S. Li*, W. Liu*, Asymmetric Schottky Contacts in van der Waals Metal-Semiconductor-Metal Structures Based on Two-dimensional Janus Materials, Research 2020 (2020) 6727524.
[13] X. Ge, G. Su, W. Che, J. Yang, X. Zhou, T. Yao, W. Liu*, and Y. E. Wu*, Atomic filtration by graphene oxide membranes to access atomically dispersed single atom catalysts, ACS Catal. 10 (2020) 10468-10475.
[14] S. Yang, S. Li, J.-C. Ren*, C. Butch*, and W. Liu*, Reversible control of spinterface properties of ferromagnetic metal/organic interfaces through selective molecular switching, Chem. Mater. 32 (2020) 9609-9615.
[15] M. Fang, X. Liu, J.-C. Ren, S. Yang, G. Su, Q. Fang, J. Lai, S. Li*, W. Liu*, Revising the anchoring behavior in lithium-sulfur batteries: Many-body effects on the suppression of shuttle effects, npj Comput. Mater. 6 (2020) 8.
[16] Q. Fang, M. Fang, X. Liu, P. Yu, J.-C. Ren, S. Li*, W. Liu*, An asymmetric Ti2CO/WS2 heterostructures as a promising anchoring material for lithium-sulfur batteries, J. Mater. Chem. A 8 (2020) 13770.
[17] S. Yang, S. Li, G.-X. Zhang, S. N. Filimonov, C. J. Butch*, J.-C. Ren*, W. Liu*, Surface Strain-Induced Collective Switching of Ensembles of Molecules on Metal Surface, J. Phys. Chem. Lett. 11 (2020) 2277-2283.
[18] C. Chen+, S. Yang+, G. Su, Q. Ji, M. Fuentes-Cabrera, S. Li*, W. Liu*, Large enantiospecificity of step-kink metal surfaces: Contributions from the backbone and side chain of α-amino acids, J. Phys. Chem. C 124 (2020) 742-748.
[19] Z. Ding, G. Zhao, H. Sun, S. Li, F. Ma*, E. J. Lavernia, Y. T. Zhu, and W. Liu*, Alloying effects on the plasticity of magnesium: Comprehensive analysis of influences of all five slip systems, J. Phys.: Condens. Matter 32 (2020) 015401.
[20] H. R. Sun, Z. Ding*, H. Sun, S. Li, E. J. Lavernia, W. Liu*, The synergistic effects of energy barriers and shear directions on twinning in face centered cubic metals, Comput. Mater. Sci. 177 (2020) 109547.
[21] H. Sun, Z. Ding*, S. Li, X. Zhang, E. J. Lavernia, W. Liu*, Zigzag dissociation mode of <c + a> dislocations on the {101-1} plane in magnesium alloys, Adv. Mater. Sci. Eng. 2020 (2020) 9646084.
[22] G. Su, S. Yang, S. Li, C. J. Butch, S. N. Filimonov, J.-C. Ren*, and W. Liu*, Switchable Schottky contacts: Simultaneously enhanced output current and reduced leakage current, J. Am. Chem. Soc. 141 (2019) 1628-1635.
[23] T. Shen, J.-C. Ren, X. Liu, S. Li*, and W. Liu*, Van der Waals Forces Induced Transition from Schottky to Ohmic Contacts: 2D Metals on Multilayer InSe, J. Am. Chem. Soc. 141 (2019) 3110-3115.
[24] G. Su+, S. Yang+, Y. Jiang, J. Li, S. Li, J.-C. Ren*, and W. Liu*, Modeling chemical reactions on surfaces: The roles of chemical bonding and van der Waals interactions, Prog. Surf. Sci. 94 (2019) 100561.
[25] J. Li, S. Yang, J.-C. Ren, G. Su, S. Li, C. J. Butch, Z. Ding*, W. Liu*, Deep molecular orbital driven high-temperature hydrogen tautomerization switching, J. Phys. Chem. Lett. 10 (2019) 6755-6761.
[26] X. Liu, J.-C. Ren, T. Shen, S. Li*, and W. Liu*, Lateral InSe p-n junction formed by partially doping for use in ultrathin flexible solar cells, J. Phys. Chem. Lett. 10 (2019) 7712-7718.
[27] H. Sun, Z. Ding*, D. Zhang, H. Zhou, S. Li, E. J. Lavernia, Y. T. Zhu, and W. Liu*, Predicting the formation of <c + a> dislocations in magnesium alloys from multiple stacking fault energies, Materialia 7 (2019) 100352.
[28] M. Li+, S. Yang+, C. Chen, J.-C. Ren, M. Fuentes-Cabrera, S. Li*, and W. Liu*, External strain-enhanced cysteine enantiomeric separation ability on alloyed stepped surfaces, J. Chem. Phys. 150 (2019) 154701.
[29] H. Peng, W. Liu*, H. Y. Hou*, and F. Liu*, Pinning effect of coherent particles on moving plane grain boundary: Theoretical models and molecular dynamic simulations, Materialia 5 (2019) 100225.
[30] Z. Ding, W. Liu*, H. Sun, S. Li, D. Zhang, Y. H. Zhao, E. J. Lavernia, and Y. T. Zhu, Origins and dissociation of Pyramidal <c + a> dislocations in magnesium and its alloys, Acta Mater. 146 (2018) 265-272.
[31] X. Liu, J. Ren, S. Zhang, M. Fuentes-Cabrera, S. Li*, and W. Liu*, Ultrahigh conductivity in two-dimensional InSe via remote doping at room temperature, J. Phys. Chem. Lett. 9 (2018) 3897-3903.
[32] S. Yang, S. Li, S. N. Filimonov, M. Fuentes-Cabrera, and W. Liu*, Principles of design for substrate-supported molecular switches based on physisorbed and chemisorbed states, ACS Appl. Mater. Inter. 10 (2018) 26772-26780.
Cited by Prof. Frank Schreiber in their review paper published in Reports on Progress in Physics (IF=17.032)
[33] S. Li, J.-C. Ren, Z. Ao, and W. Liu*, Enhanced stability and induced magnetic moments of silicene by substitutional doping of nickel, Chem. Phys. Lett. 706 (2018) 202-207.
[34] W. Liu, Y. Jiang, K.-H. Dostert, A. Savara, C. P. O’Brien, W. Riedel, S. Schauermann*, and A. Tkatchenko*, Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts, Sci. Adv. 3 (2017) e1700939.
[35] Y. Wang, S. Yang, M. Fuentes-Cabrera, S. Li*, and W. Liu*, Enhancing enantiomeric separation with strain: the case of serine on Cu(531), J. Am. Chem. Soc. 139 (2017) 8167-8173.
[36] H. Kong, S. Yang, H. Gao*, A. Timmer, J.P. Hill, O. D. Arado, H. Monig, X. Huang, Q. Tang, Q. Ji, W. Liu*, and H. Fuchs*, Substrate-mediated C-C and C-H coupling after dehalogenation, J. Am. Chem. Soc. 139 (2017) 3669-3675.
[37] S. Li, Z. Ao, J. Zhu, J. Ren, J. Yi, G. Wang, and W. Liu*, Strain controlled ferromagnetic-antiferromagnetic transformation in Mn-doped silicene for information transformation devices, J. Phys. Chem. Lett. 8 (2017) 1484-1488.
[38] S. Yang, Y. Jiang, S. Li, and W. Liu*, Many-body dispersion effects on the binding of TCNQ and F4-TCNQ with graphene, Carbon 111 (2017) 513-518.
[39] Y. Jiang, J. Li, G. Su, N. Ferri, W. Liu*, and A. Tkatchenko*, Tuning the work function of stepped metal surfaces by adsorption of organic molecules, J. Phys.: Condens. Matter 29 (2017) 204001.
[40] S. N. Filimonov, W. Liu, and A. Tkatchenko, Molecular seesaw: Intricate dynamics and versatile chemistry of heteroaromatics on metal surfaces, J. Phys. Chem. Lett. 8 (2017) 1235-1240.
[41] 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.
[42] 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. 7 (2016) 1022-1027.
[43] J. Zhou, Y. Liu, Z. Zhang, S. Yang, J. Tang*, W. Liu*, and W. H. Tang*, Cyclodextrin-clicked silica/CdTe fluorescent nanoparticles for enantioselective recognition of amino acids, Nanoscale 8 (2016) 5621-5626.
[44] Y. Jiang, S. Yang, S. Li, and W. Liu*, Aromatic molecules on low-index coinage metal surfaces: Many-body dispersion effects, Sci. Rep. 6 (2016) 39529.
[45] X. Hou, P. Zhang*, S. Li, and W. Liu*, Enhanced electrocatalytic activity of nitrogen-doped olympicene/graphene hybrids for oxygen reduction reaction, Phys. Chem. Chem. Phys. 8 (2016) 22799-22804.
[46] S. Yang, Y. Wang, Y. Jiang, S. Li*, and W. Liu*, Molecularly imprinted polymers for the identification and separation of chiral drugs and biomolecules, Polymers 8 (2016) 216.
[47] 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.
[48] R. J. Maurer, W. Liu, I. Poltavsky, T. Stecher, H. Oberhofer, K. Reuter, and A. Tkatchenko, Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111), Phys. Rev. Lett. 116 (2016) 146101.
[49] 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.
[50] 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. (+Equal contribution)
[51] 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.
[52] 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.
[53] 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.
[54] W. Liu, A. Tkatchenko, and M. Scheffler, Modeling adsorption and reactions of organic molecules at metal surfaces, Acc. Chem. Res. 47, 3369-3377 (2014).
[55] 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.
[56] 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.
[57] 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.
[58] W. Liu, S. N. Filimonov, J. Carrasco, and A. Tkatchenko, Molecular switches from benzene derivatives adsorbed on metal surfaces, Nat. Commun. 4 (2013) 2569.
[59] 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.
[60] 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.
[61] 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. B 88(2013) 035421.
[62] 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.
[63] 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. B 86 (2012) 245405. (ESI 1% Highly Cited Paper)
[64] 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.
[65] 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.
[66] W. Liu, Q. Jiang, Density functional theory study on electric field induced structure variations, binding and catalytic properties in several low-dimensional systems, J. Comput. Theor. Nanosci. 7 (2010) 2225-2261.
[67] 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.
[68] 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.
[69] 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.
[70] 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, Phys. Chem. Phys. Chem. 10 (2009) 3295-3302.
[71] 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.
[72] 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, Carbon 47 (2009) 3452-3460.
[73] W. Liu, Y. H. Zhao, Y. Li, Q. Jiang, E. J. Lavernia, Enhanced hydrogen storage on Li-dispersed carbon nanotubes, J. Phys. Chem. C 113(2009) 2028-2033.
[74] 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.
[75] 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.
[76] 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.
[77] 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. C 112 (2008) 7672-7677.
[78] 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. 20 (2008) 3028-3033.
[79] Y. Li, Y. H. Zhao, Z. H. Zhang, W. Liu, V. Ortalan, Y. Z. Zhou, X. L. Ma, E. J. Lavernia, SnO2 nanobelts and nanocrystals: Synthesis, characterization and optical properties, J. Cryst. Growth 310 (2008) 4226-4232.
[80] W. Liu, J. S. Lian, Q. Jiang, Theoretical study of C2H2 adsorbed on low-index Cu surfaces, J. Phys. Chem. C 111 (2007) 18189-18194.
[81] 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.
[82] W. Liu, W. T. Zheng, Q. Jiang, First principle study of the surface energy and work function of III-V semiconductor compounds, Phys. Rev. B 75 (2007) 235322.
[83] 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.
[84] W. Liu, X. Liu, W. T. Zheng, Q. Jiang, Surface energies of several ceramics with NaCl structure, Surf. Sci. 600 (2006) 257-264.
[85] J. C. Li, W. Liu, Q. Jiang, Bi-phase transition diagrams of metallic thin multilayers, Acta Mater. 53 (2005) 1067-1071.
[86] J. C. Li, W. Liu, Q. Jiang, Reconstruction possibility of fcc (111) metallic surfaces, Mater. Lett. 59 (2005) 1907-1909.
[87] 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.
[88] J. C. Li, W. Liu, Q. Jiang, Critical misfit of epitaxial growth metallic thin films, T. Nonferr. Metal. Soc. 15 (2005) 419-422.
发明专利
6. 发明专利：一种高刚度高强度耐高温铝基复合材料及制备方法
专利号：202210794708.3
发明(设计)人：刘伟 赵建融 聂金凤 陈玉瑶 赵永好 范勇
授权公告日：2023-06-09
5. 发明专利：一种通过表面应变控制自组装金属有机界面分子开关转变的方法
专利号：201910862050.3
发明(设计)人：刘伟 杨沙 任吉昌 苏桂荣 李爽
授权公告日：2022-09-06
4. 发明专利：高强韧高熵合金的设计方法
专利号：202011252236.6
发明(设计)人：刘伟 杨飘 丁志刚 孙昊 孙浩然 赵广轩
授权公告日：2022-08-09
3. 发明专利：一种通过施加应变来调控半胱氨酸分子分离能力的方法
专利号：201810918758.1
发明(设计)人：刘伟 李猛 李爽 杨沙 苏桂荣
授权公告日：2021-09-03
2. 发明专利：对金表面掺杂以增强对半胱氨酸分子分离能力的方法
专利号：201710483980.9
发明(设计)人：刘伟 李猛 李爽 王勇辉 杨沙 苏桂荣 韩美俊
授权公告日：2021-01-08
1. 发明专利：通过表面修饰有效提高铜表面对丝氨酸分离能力的方法
专利号：201611239711.X
发明(设计)人：李爽 王勇辉 刘伟 杨沙 苏桂荣
授权公告日：2019-05-07
软件著作权
6. 软件名称：金属/陶瓷界面性质高通量计算软件 V1.0
登记号：2024SR0395360
作者：王进，周俊俊，丁志刚，任吉昌，刘伟
登记时间：2024-03-15
5. 软件名称：新型陶瓷材料力学性能智能预测软件V1.0
登记号：2023SR1333662
作者：王进 刘伟 周俊俊 丁志刚 任吉昌
登记时间：2023-10-30
4. 软件名称：双稳态分子开关高通量计算与机器学习智能筛选软件V1.0
登记号：2023SR057402
作者：任吉昌 周俊俊 刘伟
登记时间：2023-05-17
3. 软件名称：基于第一性原理的复杂合金表面吸附高通量计算软件V1.0
登记号：2022SR0461688
作者：曹国琳 任吉昌 刘伟
登记时间：2022-04-13
2. 软件名称：非微扰近似电子-声子耦合下纳米器件电导与热导计算件V1.0
登记号：2021SR0723437
作者：任吉昌 刘伟
登记时间：2021-05-19
1. 软件名称：基于高通量实验与计算智能设计高熵合金稳定相结构软件V1.0
登记号：2021SR0723414
作者：任吉昌 周俊俊 刘伟
登记时间：2021-05-19
