赵焱


职称/学术兼职
教授，博导，PI

职位

联系方式
yan60@hotmail.com

主要研究方向
多尺度多场耦合仿真、计算材料模拟、纳米材料、新能源催化、3D打印

教育工作经历
教育经历
2000-2005，理学博士，美国明尼苏达大学化学系
1993-1999，工学博士，四川大学轻纺学院
1989-1993，理学学士，复旦大学材料科学系?
工作经历
2019/5-至今，教授，武汉大学
2017/7-至今 ，首席教授，武汉理工大学
2016/4-2017/7 高级研究员兼产品研发经理，美国应用材料公司
2009/1-2016/4首席研究员，美国惠普中央研究院 (HP Labs) ，惠普公司MJF?3D打印主创研究员之一
2005-2008，海军科研项目主管，美国明尼苏达大学

论文发表和专利
论文
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
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专利
Zhao, Y.; Ng, H. T. ?DYNAMICS SIMULATION, (2014). US Patent No. 13/534,365 (US) Washington, DC: U.S. Patent and Trademark Office.
Zhao, Y.; Tom H. S.; Ng, H. T. ?WHITE PIGMENT DISPERSIONS, WO01, Application No:
PCT/US2013/062239 ?WO A1, filed on 27 Sep 2013
Zhao, Y.; Tom H. S.; Ng, H. T. ?CATIONIC LATEX FIXATIVE FOR INK APPLICATIONS,
WO01, Application No: PCT/US2013/073584, WO 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, WO A2, filed on 30 Apr 2014
Nauka, K.; Zhao, L; Ganapathiappan, S.; Zhao, Y.; Tom, H.; Ng, H. T. ?GENERATING THREE- DIMENSIONAL OBJECTS, WO01, Application No: PCT/US2014/036001, WO A1 filed on 30 Apr 2014
Ganapathiappan, S.; Tom, H.; Nauka, K.; Zhao, L; Zhao, Y.; Ng, H. T. 3-DIMENSIONAL PRINTING, WO01, Application No: PCT/US2014/057882, WO 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, WO01, Application No: PCT/US2014/057651, WO 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, WO01, Application No: PCT/US2014/013517, WO 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, WO01, Application No: PCT/US2014/057715, WO 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 **. ?Patent written in Chinese. ???Application: CN ** ?**. ?
Huang, W.; Erickson, K. J.; Zhao, Y.; Zeng, J.; PARTICULATE MIXTURES, WO01, Application No ??PCT/US2015/054913, filed on 09 Oct 2015
Huang, W.; Erickson, K. J.; Zhao, Y.; Zeng, J.; INDUCTION FUSING, WO01, 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, WO01, 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,
WO01, 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, WO01, Application No PCT/US2015/033768, filed on 02 Jun 2015
Zhao, L..; Zhao, Y.; Ng, H. T. ??PRINTING A MULTI-STRUCTURED 3D OBJECT, WO01, Application No: PCT/US2015/031085, filed on 15 May 2015
Zhao, Y.; Zhao, L..; Ng, H. T. ??THREE-DIMENSIONAL (3D) PRINTING, WO01, Application No: PCT/US2015/028421, filed on 30 Apr 2015
Zhao, L..; Zhao, Y.; Ng, H. T. ??PRINTING A MULTI-STRUCTURED 3D OBJECT, WO01, 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, WO01, 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, WO01, 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, WO01, 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, WO01, Application No: PCT/US2014/035701, filed on 28 Apr 2014

所获荣誉
2004 Doctoral Dissertation Fellowship, Graduate School, University of Minnesota?
2014年美国汤森路透集团全球高被引科学家
2015年美国汤森路透集团全球高被引科学家
2016年美国科睿唯安集团全球高被引科学家
2017年美国科睿唯安集团全球高被引科学家
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