趙焱

ZHAOYAN

職稱/學術兼職

二級教授,博導,PI

職位

聯係方式

yan60@hotmail.com

主要研究方向

多尺度多場耦合仿真、計算材料模擬、納米材料、新能源催化、3D打印

教育工作經曆

教育經曆

2000-2005,理學博士,美國明尼蘇達大學化學係

1993-1999,工學博士,四川大學輕紡學院

1989-1993,理學學士,複旦大學材料科學係

工作經曆

2019/5-至今,二級教授,武漢大學

2017/7-2019/4 首席教授,武漢理工大學,

2016/4-2017/7 高級研究員兼產品研發經理,美國應用材料公司

2009/1-2016/4首席研究員,美國惠普中央研究院 (HP Labs) ,惠普公司MJF 3D打印主創研究員之一

2005-2008,海軍科研項目主管,美國明尼蘇達大學

論文發表和專利

1 Title: The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun ...

Author(s):Zhao, Y*; Truhlar, DG

Source: THEORETICAL CHEMISTRY ACCOUNTS Volume: 120 Issue: 1-3 Pages: 215-241 Published: MAY 2008

Times Cited: 11870 as of 3/13/2019

2 Title: Density functionals with broad applicability in chemistry

Author(s):Zhao, Y*; Truhlar, DG

Source: ACCOUNTS OF CHEMICAL RESEARCH Volume: 41 Issue: 2 Pages: 157-167 Published: FEB 2008

Times Cited: 3985 as of 3/13/2019

3 Title: A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 125 Issue: 19 Published: NOV 21 2006

Times Cited: 2469 as of 3/13/2019

4 Title: Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions

Author(s):Zhao, Y*; SCHULTZ, NE; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 2 Issue: 2 Pages: 364-382 Published: MAR-APR 2006

Times Cited: 2318 as of 3/13/2019

5 Title: Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: The MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 108 Issue: 33 Pages: 6908-6918 Published: AUG 19 2004

Times Cited: 1245 as of 3/13/2019

6 Title: Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 25 Pages: 5656-5667 Published: JUN 30 2005

7 Title: Density functional for spectroscopy: No long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 110 Issue: 49 Pages: 13126-13130 Published: DEC 14 2006

8 Title: Benchmark databases for nonbonded interactions and their use to test density functional theory

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 1 Issue: 3 Pages: 415-432 Published: MAY-JUN 2005

9 Title: Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Author(s): Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; et al.

Source: Molecular Physics Volume: 113 Issue: 2 Pages: 184-215 Published: JAN 17 2015

10 Title: Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions

Author(s):Zhao, Y*; SCHULTZ, NE; Truhlar, DG

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 123 Issue: 16 Published: OCT 22 2005

11 Title: Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods

Author(s):Zhao, Y*; GONZALEZ-GARCIA, N; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 9 Pages: 2012-2018 Published: MAR 10 2005

12 Title: Effectiveness of diffuse basis functions for calculating relative energies by density functional theory

Author(s): LYNCH, BJ;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 107 Issue: 9 Pages: 1384-1388 Published: MAR 6 2003

13 Title: Development and assessment of a new hybrid density functional model for thermochemical kinetics

Author(s):Zhao, Y*; LYNCH, BJ; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 108 Issue: 14 Pages: 2715-2719 Published: APR 8 2004

14 Title: Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 4 Issue: 11 Pages: 1849-1868 Published: NOV 2008

15 Title: Density functionals for noncovalent interaction energies of biological importance

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 3 Issue: 1 Pages: 289-300 Published: JAN-FEB 2007

16 Title: Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

Author(s): Alecu, IM; Zheng, JJ;Zhao, Y*; et al.

Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 9 Pages: 2872-2887 Published: SEP 2010

17 Title: Comparative DFT study of van der Waals complexes: Rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 110 Issue: 15 Pages: 5121-5129 Published: APR 20 2006

18 Title: Applications and validations of the Minnesota density functionals

Author(s):Zhao, Y*; Truhlar, DG

Source: Chemical Physics Letters Volume: 502 Issue: 1-3 Pages: 1-13 Published: 2011

19 Title: Density functionals for inorganometallic and organometallic chemistry

Author(s): SCHULTZ, NE;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 49 Pages: 11127-11143 Published: DEC 15 2005

20 Title: The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights

Author(s): ZHENG, JJ;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 4 Pages: 808-821 Published: 2009

21 Title: Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics

Author(s):Zhao, Y*; LYNCH, BJ; Truhlar, DG

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 7 Issue: 1 Pages: 43-52 Published: 2005

22 Title: On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

Author(s): Jacquemin, D; Perpete, EA; Ciofini, I; et al.

Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 7 Pages: 2071-2085 Published: JUL 2010

23 Title: How well can new-generation density functional methods describe stacking interactions in biological systems?

Author(s):Zhao, Y*; Truhlar, DG

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 7 Issue: 14 Pages: 2701-2705 Published: 2005

24 Title: Doubly hybrid meta DFT: New multi-coefficient correlation and density functional methods for thermochemistry and thermochemical kinetics

Author(s):Zhao, Y*; LYNCH, BJ; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 108 Issue: 21 Pages: 4786-4791 Published: MAY 27 2004

25 Title: How well can new-generation density functionals describe the energetics of bond-dissociation reactions producing radicals?

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 112 Issue: 6 Pages: 1095-1099 Published: FEB 14 2008

26 Title: Tests of second-generation and third-generation density functionals for thermochemical kinetics

Author(s):Zhao, Y*; PU, JZ; LYNCH, BJ; et al.

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 6 Issue: 4 Pages: 673-676 Published: 2004

27 Title: Assessment of model chemistries for noncovalent interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 2 Issue: 4 Pages: 1009-1018 Published: JUL 11 2006

28 Title: Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 2 Pages: 324-333 Published: FEB 2009

29 Title: Representative benchmark suites for barrier heights of diverse reaction types and assessment of electronic structure methods for thermochemical kinetics

Author(s): ZHENG, JJ;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 3 Issue: 2 Pages: 569-582 Published: MAR-APR 2007

30 Title: Assessment of density functionals for pi systems: Energy differences between cumulenes and poly-ynes; Proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff bases

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 110 Issue: 35 Pages: 10478-10486 Published: SEP 7 2006

31 Title: Databases for transition element bonding: Metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations

Author(s): SCHULTZ, NE;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 19 Pages: 4388-4403 Published: MAY 19 2005

32 Title: A density functional that accounts for medium-range correlation energies in organic chemistry

Author(s):Zhao, Y*; Truhlar, DG

Source: ORGANIC LETTERS Volume: 8 Issue: 25 Pages: 5753-5755 Published: DEC 7 2006

33 Title: How well can density functional methods describe hydrogen bonds to pi acceptors?

Author(s):Zhao, Y*; TISHCHENKO, O; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 109 Issue: 41 Pages: 19046-19051 Published: OCT 20 2005

34 Title: Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 128 Issue: 18 Published: MAY 14 2008

35 Title: Comparative assessment of density functional methods for 3d transition-metal chemistry

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 124 Issue: 22 Published: JUN 14 2006

36 Title: Attractive noncovalent interactions in the mechanism of Grubbs second-generation Ru catalysts for olefin metathesis

Author(s):Zhao, Y*; Truhlar, DG

Source: ORGANIC LETTERS Volume: 9 Issue: 10 Pages: 1967-1970 Published: MAY 10 2007

37 Title: Tests of the RPBE, revPBE, tau-HCTHhyb, omega B97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier heights in catalysis

Author(s): YANG, K; ZHENG, JJ;Zhao, Y*; et al.

Source: Journal of Chemical Physics Volume: 132 Issue: 16 Published: 2010

38 Title: Computational characterization and modeling of buckyball tweezers: density functional study of concave-convex pi center dot center dot center dot pi interactions

Author(s):Zhao, Y*; Truhlar, DG

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 10 Issue: 19 Pages: 2813-2818 Published: 2008

39 Title: Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals

Author(s):Zhao, Y*; Truhlar, DG

Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 3 Pages: 669-676 Published: MAR 2011

40 Title: The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods

Author(s): LYNCH, BJ;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 8 Pages: 1643-1649 Published: MAR 3 2005

41 Title: Benchmark data for interactions in zeolite model complexes and their use for assessment and validation of electronic structure methods

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 17 Pages: 6860-6868 Published: MAY 1 2008

42 Title: Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance

Author(s): Peverati, Roberto;Zhao, Y*; Truhlar, Donald G.

Source: Journal of Physical Chemistry Letters Volume: 2 Issue: 16 Pages: 1991-1997 Published: AUG 18 2011

43 Title: Multicoefficient extrapolated density functional theory studies of pi...pi interactions: The benzene dimer

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 19 Pages: 4209-4212 Published: MAY 19 2005

44 Title: A prototype for graphene material simulation: Structures and interaction potentials of coronene dimers

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 11 Pages: 4061-4067 Published: 2008

45 Title: Verdict: Time-Dependent Density Functional Theory "Not Guilty" of Large Errors for Cyanines

Author(s): Jacquemin, Denis;Zhao, Y*; Valero, Rosendo; et al.

Source: Journal of Chemical Theory and Computation Volume: 8 Issue: 4 Pages: 1255-1259 Published: APR 2012

46 Title: Infinite-basis calculations of binding energies for the hydrogen bonded and stacked tetramers of formic acid and formamide and their use for validation of hybrid DFT and ab initio methods

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 109 Issue: 30 Pages: 6624-6627 Published: AUG 4 2005

47 Title: Thermochemical Kinetics for Multireference Systems: Addition Reactions of Ozone

Author(s):Zhao, Y*; TISHCHENKO, O; GOUR, JR; et al.

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 113 Issue: 19 Pages: 5786-5799 Published: MAY 14 2009

48 Title: Size-selective supramolecular chemistry in a hydrocarbon nanoring

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 129 Issue: 27 Pages: 8440-+ Published: JUL 11 2007

49 Title: Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functional

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 112 Issue: 30 Pages: 6794-6799 Published: JUL 31 2008

50 Title: Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations

Author(s): SCHULTZ, NE;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 29 Issue: 2 Pages: 185-189 Published: JAN 30 2008

51 Title: Calculation of semiconductor band gaps with the M06-L density functional

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 130 Issue: 7 Published: FEB 21 2009

52 Title: Binding energy of d(10) transition metals to alkenes by wave function theory and density functional theory

Author(s): AVERKIEV, BB;Zhao, Y*; Truhlar, DG

Source: Journal of Molecular Catalysis a-Chemical Volume: 324 Issue: 1-2 Pages: 80-88 Published: JUN 1 2010

53 Title: Carbene Rotamer Switching Explains the Reverse Trans Effect in Forming the Grubbs Second-Generation Olefin Metathesis Catalyst

Author(s): Yang, Hsiao-Ching; Huang, Yen-Chin; Lan, Yi-Kang; et al.

Source: Organometallics Volume: 30 Issue: 15 Pages: 4196-4200 Published: AUG 8 2011

54 Title: Thermochemical kinetics of hydrogen-atom transfers between methyl, methane, ethynyl, ethyne, and hydrogen

Author(s): ZHENG, JJ;Zhao, Y*; Truhlar, DG

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 111 Issue: 21 Pages: 4632-4642 Published: MAY 31 2007

55 Title: Validation of electronic structure methods for isomerization reactions of large organic molecules

Author(s): Luo, Sijie;Zhao, Y*; Truhlar, Donald G.

Source: Physical Chemistry Chemical Physics Volume: 13 Issue: 30 Pages: 13683-13689 Published: 2011

56 Title: Multiconfiguration molecular mechanics based on combined quantum mechanical and molecular mechanical calculations

Author(s): LIN, H;Zhao, Y*; TISHCHENKO, O; et al.

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 2 Issue: 5 Pages: 1237-1254 Published: SEP 12 2006

57 Title: Improved CO Adsorption Energies, Site Preferences, and Surface Formation Energies from a Meta-Generalized Gradient Approximation Exchange-Correlation Functional, M06-L

Author(s): Luo, Sijie;Zhao, Y*; Truhlar, Donald G.

Source: Journal of Physical Chemistry Letters Volume: 3 Issue: 20 Pages: 2975-2979 Published: OCT 18 2012

58 Title: How well can new-generation density functionals describe protonated epoxides where older functionals fail?

Author(s):Zhao, Y*; Truhlar, DG

Source: JOURNAL OF ORGANIC CHEMISTRY Volume: 72 Issue: 1 Pages: 295-298 Published: JAN 5 2007

59 Title: Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods

Author(s):Zhao, Y*; Ng, Hou T.; Peverati, Roberto; et al.

Source: Journal of Chemical Theory and Computation Volume: 8 Issue: 8 Pages: 2824-2834 Published: AUG 2012

60 Title: Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H+C2H6 reaction

Author(s): CHAKRABORTY, A;Zhao, Y*; LIN, H; et al.

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 124 Issue: 4 Published: JAN 28 2006

61 Title: Density Functional Calculations of E2 and S(N)2 Reactions: Effects of the Choice of Density Functional, Basis Set, and Self-Consistent Iterations

Author(s):Zhao, Y*; Truhlar, DG

Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 4 Pages: 1104-1108 Published: 2010

62 Title: Effect of Triton X-100 on the stability of aqueous dispersions of copper phthalocyanine pigment nanoparticles

Author(s): Dong, Jiannan; Chen, Shuang; Corti, David S.; et al.

Source: Journal of Colloid and Interface Science Volume: 362 Issue: 1 Pages: 33-41 Published: OCT 1 2011

63 Title: Benchmark Data for Noncovalent Interactions in HCOOH center dot center dot center dot Benzene Complexes and Their Use for Validation of Density Functionals

Author(s):Zhao, Y*; NG, HT; HANSON, E

Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 10 Pages: 2726-2733 Published: OCT 2009

64 Title: Comment on "More accurate generalized gradient approximation for solids"

Author(s):Zhao, Y*; Truhlar, DG

Source: PHYSICAL REVIEW B Volume: 78 Issue: 19 Published: NOV 2008

65 Title: Colloidal Dispersion Stability of CuPc Aqueous Dispersions and Comparisons to Predictions of the DLVO Theory for Spheres and Parallel Face-to-Face Cubes

Author(s): DONG, JN; CORTI, DS; FRANSES, EI; et al.

Source: Langmuir Volume: 26 Issue: 10 Pages: 6995-7006 Published: 2010

66 Title: Multicoefficient gaussian-3 calculation of the rate constant for the OH+CH4 reaction and its C-12/C-13 kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment

Author(s): ELLINGSON, BA; PU, J; LIN, H; et al.

Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 111 Issue: 45 Pages: 11706-11717 Published: NOV 15 2007

67 Title: Temperature dependence of carbon-13 kinetic isotope effects of importance to global climate change

Author(s): LIN, H;Zhao, Y*; ELLINGSON, BA; et al.

Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 127 Issue: 9 Pages: 2830-2831 Published: MAR 9 2005

68 Title: Adsorption of Myrj 45 on copper phthalocyanine pigment nanoparticles and effect on their dispersion stability in aqueous solution

Author(s): Dong, Jiannan; Corti, David S.; Franses, Elias I.; et al.

Source: Colloids and Surfaces a-Physicochemical and Engineering Aspects Volume: 390 Issue: 1-3 Pages: 74-85 Published: OCT 20 2011

69 Title: Computation of Nonretarded London Dispersion Coefficients and Hamaker Constants of Copper Phthalocyanine

Author(s):Zhao, Y*; NG, HT; HANSON, E; et al.

Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 2 Pages: 491-498 Published: 2010

70 Title: Adequate representation of charge polarization effects leads to a successful treatment of the CF4 + SiCl4 -> CCl4 + SiF4 reaction by density functional theory

Author(s): Li, RF;Zhao, Y*; Truhlar, DG

Source: Chemical Communications Volume: 47 Issue: 8 Pages: 2357-2359 Published: 2011

71 Title: Surface Molecular Vibrations as a Tool for Analyzing Surface Impurities in Copper Phthalocyanine Organic Nanocrystals

Author(s): Nauka, K.;Zhao, Y*.; Ng, Hou T.; et al.

Source: Organic Photovoltaics and Related Electronics - From Excitons To Devices, Vol 1270 Volume: 1270 Published: 2010

72 Title: Process-Level Modeling and Simulation for HP's Multi Jet Fusion 3D Printing Technology

Author(s): Kim, Hokeun;Zhao, Y*; Zhao, Lihua; et al.

Source: 2016 1st International Workshop on Cyber-Physical Production Systems (Cpps) Published: 2016

73 Title: Intermolecular [2+2] Cycloaddition/lsomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)(2)center dot 6H(2)O Lewis Acid

Author(s): Pang, Shuai; Yang, Xing; Cao, Ze-Hun; et al.

Source: Acs Catalysis Volume: 8 Issue: 6 Pages: 5193-5199 Published: JUN 2018

74 Title: Oxygen Vacancy-Determined Highly Efficient Oxygen Reduction in NiCo2O4/Hollow Carbon Spheres

Author(s): Yuan, Hui; Li, Jiantao; Yang, Wei; et al.

Source: Acs Applied Materials & Interfaces Volume: 10 Issue: 19 Pages: 16410-16417 Published: MAY 16 2018

75 Title: Lithiophilic-lithiophobic gradient interfacial layer for a highly stable lithium metal anode

Author(s): Zhang, Huimin; Liao, Xiaobin; Guan, Yuepeng; et al.

Source: Nature Communications Volume: 9 Published: SEP 13 2018

76 Title: A 3D Nitrogen-Doped Graphene/TiN Nanowires Composite as a Strong Polysulfide Anchor for Lithium-Sulfur Batteries with Enhanced Rate Performance and High Areal Capacity

Author(s): Li, Zhaohuai; He, Qiu; Xu, Xu; et al.

Source: Advanced Materials Volume: 30 Issue: 45 Published: NOV 2018

77 Title: Extrapolation of high-order correlation energies: the WMS model

Author(s):Zhao, Y*; Xia, Lixue; Liao, Xiaobin; et al.

Source: Physical Chemistry Chemical Physics Volume: 20 Issue: 43 Pages: 27375-27384 Published: NOV 21 2018

78 Title: Stereospecific Synthesis of Fluorinated Pyrazolidinones and Isoxazolidines via a Catalyst-Free 1,3-Dipolar Cycloaddition of beta-Fluoroalkylated alpha,beta-Unsaturated 2-Pyridylsulfones

Author(s): Kou, Ying-Da; Zhao, Zhen-Ni; Yang, Xing; et al.

Source: Asian Journal of Organic Chemistry Volume: 7 Issue: 9 Pages: 1830-1834 Published: SEP 2018

79 Title: High-Performance Na-O-2 Batteries Enabled by Oriented NaO2 Nanowires as Discharge Products

Author(s): Khajehbashi, S. Mohammad B.; Xu, Lin; Zhang, Guobin; et al.

Source: Nano Letters Volume: 18 Issue: 6 Pages: 3934-3942 Published: JUN 2018

80. Title: Revealing the atomistic origin of the disorder-enhanced Na-storage performance in NaFePO4 battery cathode

Author(s): Xiong, Fangyu; An, Qinyou; Xia, Lixue; et al.

Source: Nano Energy Volume: 57 Pages: 608-615 Published: MAR 2019

Book Chapter

Title: The Minnesota Density Functionals and their Applications to Problems in Mineralogy and Geochemistry

Author(s):Zhao, Y*; Truhlar, DG

Source: Theoretical and Computational Methods in Mineral Physics: Geophysical Applications Volume: 71 Pages: 19-37 Published: 2010

專利

Zhao, Y.; Ng, H. T. DYNAMICS SIMULATION, (2014). US Patent No. 13/534,365 (US20140005993) Washington, DC: U.S. Patent and Trademark Office.

Zhao, Y.; Tom H. S.; Ng, H. T. WHITE PIGMENT DISPERSIONS, 700214050WO01, Application No:

PCT/US2013/062239 WO2015047306 A1, filed on 27 Sep 2013

Zhao, Y.; Tom H. S.; Ng, H. T. CATIONIC LATEX FIXATIVE FOR INK APPLICATIONS,

700215017WO01, Application No: PCT/US2013/073584, WO2015084395 A1, filed on 06 Dec 2013

Tom, H.; Ganapathiappan, S.; Nauka, K.; Zhao, L;Zhao, Y.; Ng, H. T. THREE-DIMENSIONAL (3D) PRINTING METHOD, Application No: PCT/US2014/036169, WO2015167530 A2, filed on 30 Apr 2014

Nauka, K.; Zhao, L; Ganapathiappan, S.;Zhao, Y.; Tom, H.; Ng, H. T. GENERATING THREE- DIMENSIONAL OBJECTS, 700215739WO01, Application No: PCT/US2014/036001, WO2015108556 A1 filed on 30 Apr 2014

Ganapathiappan, S.; Tom, H.; Nauka, K.; Zhao, L;Zhao, Y.; Ng, H. T. 3-DIMENSIONAL PRINTING, 700218401WO01, Application No: PCT/US2014/057882, WO2016048380 A1, filed on 26 Sep 2014

Abbott, J. E.; Nauka, K.; Zhao, L; Ganapathiappan, S.;Zhao, Y.; Tom, H.; Ng, H. T.; Govyadinov. A.; Kasperchik, V.; LIGHTING FOR ADDITIVE MANUFACTURING, 700218833WO01, Application No: PCT/US2014/057651, WO2016048348 A1, filed on 26 Sep 2014

Zhao, L; Ganapathiappan, S.;Zhao, Y.; Nauka, K.; Tom, H.; Ng, H. T. POLYMERIC POWDER COMPOSITION FOR THREE-DIMENSIONAL (3D) PRINTING, 700215721WO01, Application No: PCT/US2014/013517, WO2015108544 A1, filed on 29 Jan 2014

Govyadinov. A.; Abbott, J. E.; Kasperchik, V.; Nauka, K.; Zhao, L; Ganapathiappan, S.;Zhao, Y.; Tom, H.; Ng, H. T. LIGHTING FOR ADDITIVE MANUFACTURING, 700218726WO01, Application No: PCT/US2014/057715, WO2016048357 A1, filed on 26 Sep 2014

Li, Z.; Liao, L.; Chen, M.;Zhao, Y.MODIFIED INORGANIC PIGMENT COMPOSITION FOR DYEING AND ITS APPLICATIONS, Oct. 1998 195004 A 19981007. Patent written in Chinese. Application: CN 97107422 19970403.

Huang, W.; Erickson, K. J.;Zhao, Y.; Zeng, J.; PARTICULATE MIXTURES, 700222063WO01, Application No PCT/US2015/054913, filed on 09 Oct 2015

Huang, W.; Erickson, K. J.;Zhao, Y.; Zeng, J.; INDUCTION FUSING, 700221230WO01, Application No PCT/US2015/043293, filed on 31 Jul 2015

Huang, W.; Zeng, J.;Zhao, Y.; White, S.; Cortes I Herms, S.; PARTS ARRANGEMENT DETERMINATION FOR A 3D PRINTER BUILD ENVELOPE, 700221201WO01, Application No PCT/US2015/043298, filed on 31 Jul 2015

Zhao, Y.; Zeng, J.; Huang W.; Zhao, L.; Hanson, E. G.; CONTROLLED HEATING FOR 3D PRINTING,

700222043WO01, Application No: PCT/US2015/042894, filed on 30 Jul 2015

Zhao, Y.; De Pena, A. M.; Ng, H. T. SACRIFICIAL OBJECTS BASED ON A TEMPERATURE THRESHOLD, 700220371WO01, Application No PCT/US2015/033768, filed on 02 Jun 2015

Zhao, L..;Zhao, Y.; Ng, H. T. PRINTING A MULTI-STRUCTURED 3D OBJECT, 700220353WO01, Application No: PCT/US2015/031085, filed on 15 May 2015

Zhao, Y.; Zhao, L..; Ng, H. T. THREE-DIMENSIONAL (3D) PRINTING, 700220325WO01, Application No: PCT/US2015/028421, filed on 30 Apr 2015

Zhao, L..;Zhao, Y.; Ng, H. T. PRINTING A MULTI-STRUCTURED 3D OBJECT, 700220352WO01, Application No: PCT/US2015/028417, filed on 16 Nov 2014

Franses, E.; Corti, D; Yang, Y-J;Zhao, Y.; Tom, H.; Ng, H. T.; AQUEOUS INK COMPOSITION, 700217488WO01, Application No: PCT/US2014/058317, filed on 30 Sep 2014

Ganapathiappan, S.; Tom, H.; Nauka, K.; Zhao, L;Zhao, Y.; Ng, H. T. 3-DIMENSIONAL PRINTING, 700217839WO01, Application No: PCT/US2014/057863, filed on 26 Sep 2014

Nauka, K.; Zhao, L; Ganapathiappan, S.;Zhao, Y.; Tom, H.; Ng, H. T. ADDITIVE MANUFACTURING, 700217515WO01, Application No: PCT/US2014/070396 filed on 30 Apr 2014

Zhao, L;Zhao, Y.; Ganapathiappan, S.; Teishev, A.; Ng, H. T. POLYMER-ENCAPSULATED METALLIC INK PARTICLES AND METALLIC ELECTROPHOTOGRAPHIC INKS, 700215980WO01, Application No: PCT/US2014/035701, filed on 28 Apr 2014

所獲榮譽

2004 Doctoral Dissertation Fellowship, Graduate School, University of Minnesota

2014年美國湯森路透集團全球高被引科學家

2015年美國湯森路透集團全球高被引科學家

2016年美國科睿唯安集團全球高被引科學家

2017年美國科睿唯安集團全球高被引科學家