一、 基本情况
郑文旭，男，博士，副教授，硕士生导师。2005年于四川大学物理化学专业博士毕业，2003至2004年在香港中文大学、香港城市大学做研究助理，2005年至2008年在香港中文大学及香港科技大学做博士后研究工作。2008年7月进入 工作。广东省增材制造研究与应用协会常务理事。长期从事分子模拟、3D打印材料、天然产物有效成分分离提取等研究工作，在Angewandte Chemie International Edition、Macromolecules、Journal of Materials Chemistry、Organometallics、Analytical Chemistry、Journal of Physical Chemistry A、中国科学等国内外著名学术刊物上发表SCI收录论文50余篇。
地址：广州市天河区五山路483号 材料与能源学院 (510642）
E-mail：wzheng@scau.edu.cn
二、讲授课程：
计算化学、专业英语、计算机在材料科学中的应用、基础化学实验
三、研究方向
1、 有机、无机分子及材料的几何和电子结构，相关物理化学性质的分子模拟
2、 高分子3D打印材料研究
3、 天然产物有效成分分离提取及其在化妆品、食品、医药中的应用研究
四、主持项目
1. 广东省自然科学基金，乙醇、甘油水蒸气重整制氢催化剂的改性及反应机理研究，2012/01-2014/12
2. 广东省科技计划项目，《3D打印技术与应用（青少年版）》优秀科普作品创作，2020/06-2022/11
3. 广东省科技计划项目，基于直写三维制造纳米纤维防护材料的粤港合作及人才培养,2021/12-2022/12
4.横向项目，天然橡胶抗菌功能化改性及应用，2021/11-2024/10
5.横向项目，红树植物综合开发利用，2022/5-2024/5
6.横向项目，SEBS专用橡胶3D打印材料的研发及橡胶跑道模具制造应用，2020/4-2023/4
五、发表论文
1. Guoguang Chen, Dashuang Wang, Weijian Hua, Weibin Wu, Wuyi Zhou, Yifei Jin, Wenxu Zheng*, Simulating and Predicting the Part Warping in Fused Deposition Modeling by Thermal–Structural Coupling Analysis, 3D PRINTING AND ADDITIVE MANUFACTURING, 2023,10（1），70-82.
2. Jiancheng Zhang, Da Huang, Shuifeng Liu, Zijun Yang, Xianming Dong, Hongwu Zhang, Wenhua Huang , Shuzhen Zhou, Yen Wei, Weijian Hua, Yifei Jin, Wuyi Zhou, Wenxu Zheng*, Water soluble photocurable carboxymethyl cellulose-based bioactive hydrogels for digital light processing, Journal of Applied Polymer Science, 2022,139（20），e52155.
3. ZhiCheng Niu, Min Xue, YongXin Xiao, LuSi Chen, YuanYuan Zeng, WenXu Zheng*, ChunLin Ni, JiaRong Zhou, Synthesis, structure, spectra, magnetism, non-linear optical properties and DFT calculations of a bis(dithiolene)nickel(III) anion salt with substituted isoquinolinium, INORGANIC AND NANO-METAL CHEMISTRY, 2021, 51（2）,159-167.
4. YiLin Xu, Jing Zhang, LuSi Chen, YuanYuan Zeng, JiaRong Zhou, ChunLin Ni, Wen-Xu Zheng*, Crystal structure, spectroscopic, non-linear optical, magnetic properties and DFT studies of bis(2-aminopyridinium) tetrachlorocobaltate(II), Journal of Molecular Structure, 2020,1222,128902.
5. Jiancheng Zhang, Da Huang, Shuifeng Liu, Xianming Dong, Yiheng Li, Hongwu Zhang, Zijun Yang, Qisheng Su, Wenhua Huang, Wenxu Zheng*, Wuyi Zhou*. Zirconia toughened hydroxyapatite biocomposite formed by a DLP 3D printing process for potential bone tissue engineering. Materials Science & Engineering C, 2019, 110053-110068.
6. Zhi-Hao Gan, Nan Ni, Jin-Ying Liang, Cai-Hong Liu, Wen-Xu Zheng*, Le-Min Yang, Jia-Rong Zhou*. Structural, vibrational and optical properties of an organic–inorganic hybrid crystal of benzyl 4-aminopyridinium tetrabromocadmate(II) based on DFT calculations. Polyhedron, 2019, 408–413.
7. Yan-Yan Liao, Li Xu, Ri-Yuan Tang*, Wen-Xu Zheng*. Palladium-Catalyzed Selective Synthesis of 3-Hydroxy-2-oxindoles via Cascade C–H Cycloaddition and Oxidation of α-Aminoacetophenones. Synthesis, 2018, 4645-4650.
8. Yan-Yan Liao, Yong-Chao Gao, Wenxu Zheng*, Ri-Yuan Tang*. Oxidative Radical Cyclization of N-methyl-N-arylpropiolamide to satins via Cleavage of the Carbon-carbon Triple Bond. Advanced Synthesis & Catalysis, 2018, 3391-3400.
9. Yanyan Liao, Jianchao Deng, Yanping Ke, Xiaolin Zhong, Li Xu, Riyuan Tang*, Wenxu Zheng*, Isothiocyanation of amines using the Langlois reagent. Chemical Communications, 2017, 53, 6073-6076.
10. Zhaomin Nie, Zhirui Mai, Yiming Peng, Kaiping Chen, Yiyun Zhang, Wenxu Zheng*. Computational design of high efficiency nonplanar tri-s-triazine-based ambipolar host materials for phosphorescent blue emitters. Physical Chemistry Chemical Physics, 18, 33009-33020, 2016.
11. Zheng Zhang, Yi-Hang Zhou, Wan-Qi Zheng, Ru-Meng Chen, Bing-Wu Wang, Xiao-Geng Zheng, Chun-Lin Ni*, Xiao-Ping Liu, Jia-Rong Zhou, Wen-Xu Zheng*. Synthesis, crystal structure, thermal and optical properties of an organic material: benzyl isoquinolinium picrate single crystal. Synthetic Metals, 2016, 267–273.
12. Jing Li, Zhaomin Nie, Hai Li*, Yiming Peng, Ziyuan Wang, Zhirui Mai, Wenxu Zheng*. Computational study on tri-s-triazine-based molecules as ambipolar host materials for phosphorescent blue emitters: effectively geometric and electronic tuning. Journal of Materials Chemistry C,3, 4859-4867, 2015.
13. Jing Li, Wei Hu, Xiaowei Zheng, Junda li, Wenxu Zheng*. Theoretical Study on Iridiacycle and Rhodiacycle Formation via C-H Activation of Phenyl Imines. Organometallics, 33（9）：2150-2159，2014.
14. Li Huang, Xiaoyu Zhang, Jing Li, Ke Ding, Xuehui Li, Wenxu Zheng,* Biaolin Yin*. Synthesis, Skeletal Rearrangement, and Biological Activities of Spirooxindoles: Exploration of a Stepwise C-Piancatelli Rearrangement. European journal of organic chemistry, 338–349, 2014.
15. Wei Hu, Suwen Deng, Jianyin Huang, Yanmei Lu, Xueyi Le, Wenxu Zheng*. Interc alative interaction of asymmetric copper(II) complex with DNA: Experimental, m olecular docking, molecular d ynamics and T DDFT studies. Journal of Inorganic Biochemistry, 127: 90-98, 2013.
16. Wei Hu, Jing Li, Suwen deng, Jianyin Huang, Xueyi Le, Wenxu Zheng*. Computational Mechanistic Study on Oxidative Esterification of Alcohols to Esters Catalyzed by Palladium Complex. Journal of Organometallic Chemistry, 740: 10-16, 2013.
17. Ziwu Liu, Feng Peng, Hongjuan Wang, Hao Yu, Wenxu Zheng, Xianyong Wei. Preparation of phosphorus-doped carbon nanospheres and their electrocatalytic performance for O-2 reduction. Journal of Natural Gas Chemistry, 21: 257-264, 2012.
18. Zi-Wu Liu, Feng Peng, Hong-Juan Wang, Hao Yu, WenXu Zheng, Jian Yang “Phosphorus-Doped Graphite Layers with High Electrocatalytic Activity for the O2 Reduction in an Alkaline Medium” Angew. Chem. Int. Ed., 2011, 50, 3257-3261.
19. Hao Yu, Feng Peng, Jun Tan, Xiaowei Hu, Hongjuan Wang, Jian Yang, Wenxu Zheng “Selective Catalysis of the Aerobic Oxidation of Cyclohexane in the Liquid Phase by Carbon Nanotubes” Angew. Chem. Int. Ed., 2011, 50: 3978-3982.
20. Zhenlin Xu, Yudong Shen, Wenxu Zheng, “Broad-Specificity Immunoassay for O,O-Diethyl Organophosphorus Pesticides: Application of Molecular Modeling to Improve Assay Sensitivity and Study Antibody Recognition” Anal. Chem., 2010, 82: 9314–9321.
21. Wenxu Zheng, Zhongyuan Zhou, Chak Po Lau, Zhenyang Lin, “Structure Determination of TpRu(PPh3)(κ2-N,O-NH=CPhN=CPhO): A Story of How Computational Studies Contribute to the Structural Characterization process”, J. Theor. Comput. Chem., 2009, 3: 417-422.
22. Wenxu Zheng*, Kai-Chung Lau, Ning-Bew Wong, Wai-Kee Li, “The adiabatic electron affinities (EAs) for the heteroatomic molecule SO4: An MP2/CBS study”, Chem. Phys. Lett., 2009, 467: 402-406.
23. Qiang Peng, Jun Xu, Mingjun Li, Wenxu Zheng “Blue Emitting Polyfluorenes Containing Dendronized Carbazole and Oxadiazole Pendants: Synthesis, Optical Properties, and Electroluminescent Properties” Macromolecules, 2009, 42: 5478–5485.
24. Qiang Peng, Jun Xu, Wenxu Zheng “Low Band Gap Copolymers Based on Thiophene and Quinoxaline: Their Electronic Energy Levels and Photovoltaic Application” Journal of Polymer Science: Part A: Polymer Chemistry, 2009, 47: 3399–3408.
25. Qiang Peng, Jianping Zou, Guisheng Zeng, ZhenhaiWen,Wenxu Zheng “Stable blue-emitting molecular material derived from calixarene and pyrazoline: Synthesis, optical and electrochemical properties” Synthetic Metals，2009, 159: 1944-1949.
26. Wenxu Zheng, Alireza Ariafard, Zhenyang Lin, “Understanding the Highly Regioselective Cyanothiolation of 1-Alkynes Catalyzed by Palladium Phosphine Complexes”, Organometallics, 2008, 27: 246-253.
27. Wenxu Zheng, Ning-Bew Wong, Wai-kee Li, Anmin Tian “Absorption Spectra of Tri-s-triazines: Time Dependent Density Functional Theory Calculations” New J. Chem., 2006, 30: 1307-1318
28. Wenxu Zheng, Ning-Bew Wong, Wai-kee Li, Anmin Tian “Theoretical studies on the nonlinear optical properties of octupolar tri-s-triazines” J. Chem. Theory Comput., 2006, 2: 808-814
29. Wenxu Zheng, Ning-Bew Wong, Anmin Tian “Anion-Tri-s-triazine Bonding: A Case for Anion Recognition” J. Phys. Chem. A, 2005, 109: 1926-1932
30. Wenxu Zheng, Ning-Bew Wong, Wai-kee Li, Anmin Tian “Tri-s-triazine and Its Nitrogen Isoelectronic Equivalents: An ab Initio Study” J. Phys. Chem. A, 2004, 108: 11721-11727
31. Wenxu Zheng, Ning-Bew Wong, Xiaoqin Liang, Xinping Long, and Anmin Tian, “Theoretical Prediction of Properties of Triazidotri-s-triazine and Its Azido-Tetrazole Isomerism” J. Phys. Chem. A, 2004, 108: 840-847
32. Wenxu Zheng, Ning-Bew Wong, Weizhou Wang, Ge Zhou, Anmin Tian “Theoretical Study of 1,3,4,6,7,9,9b-heptaazaphenalene and its ten derivatives” J. Phys. Chem. A, 2004, 108: 97-106.
33. Wenxu Zheng, Ning-Bew Wong, Ge Zhou, Xiaoqin Liang, Jinshan Li, Anmin Tian “Theoretical Study of tri-s-triazine and some of its derivatives” New J. Chem., 2004, 28: 275-283
34. Wenxu Zheng, Weizhou Wang, Xuemei Pu, Anmin Tian, Ning-Bew Wong, “Effect of CP-corrected gradient optimization on the water-radical (anion) dimmer hypersurface”, J. Mol. Struct (Theochem), 2003, 631: 171-180
35. Wenxu Zheng, Xuemei Pu, Weizhou Wang, Anmin Tian, “Study of intermolecular interaction between H2O and NO、CN、OH radicals and anions”, Acta Chim. Sinica， 2003, 61: 336-344
36. Wenxu Zheng, Ming Li, Anmin Tian “Quantum Chemical Study on Enantioselective Reduction of Keto Oxime Ether with Borane Catalyzed by Oxazaborolidine Part 4. The reduction process in which oxime is reduced first and carbonyl is reduced through an intermediate containing a B(2)-N(3)-BBH2-OC=O-CC=O-CC=N-NC=N 7-membered ring” J. Mol. Struct (Theochem), 2003, 634: 253-264
37. Wenxu Zheng, Ming Li, Anmin Tian “Quantum Chemical Study on Enantioselective Reduction of Keto Oxime Ether with Borane Catalyzed by Oxazaborolidine Part 5. The reduction process in which oxime is reduced first and carbonyl is reduced through a 4-membered ring and a 7-membered ring intermediates”, J. Mol. Struct (Theochem), 2004, 668: 13-23
38. Chung Wing Leung, Wenxu Zheng, Zhongyuan Zhou, Zhenyang Lin, Chak Po Lau, Mechanism of Catalytic Hydration of Nitriles with Hydrotris(pyrazolyl)borato (Tp) Ruthenium Complexes, Organometallics,2008, 27: 4957-4969
39. Kai-Chung Lau, Wenxu Zheng, Ning-Bew Wong, Wai-Kee Li, “Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl,2-methylallyl, cyclopropylmethyl and cyclobutyl radicals” J. Chem. Phys., 2007, 127: 154302-154312.
40. Chung Wing Leung, Wenxu Zheng, Dexian Wang, Siu Man Ng, Chi Hung Yeung, Zhongyuan Zhou, Zhenyang Lin, Chak Po Lau, “Catalytic H/D Exchange between Organic Compounds and D2O with TpRu(PPh3)(CH3CN)H (Tp = hydro(trispyrazolyl)borate). Reaction of TpRu(PPh3)(CH3CN)H with Water to Form Acetamido Complex TpRu(PPh3)(H2O)(NHC(O)CH3)”, Organometallics,2007, 26: 1924-1933
41. Ming Li, Wenxu Zheng, Anmin Tian “Density functional study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine” Science in China Series B: Chemistry 2006, 49: 296-307
42. Hongwei Zhou, Wenxu Zheng, Xin Wang, Yi Ren, Ning-Bew Wong, Yuanjie Shu, Anmin Tian, “A Gaussian-3 investigation on the stabilities and bonding of the nine N-10 clusters”, J. Mol. Struct (Theochem), 2005, 732: 139-148
43. Xiaoqin Liang, Wenxu Zheng, Ning-Bew Wong, Yuanjie Shu, Anmin Tian, “Solvent-assisted catalysis mechanism on Keto-enol tautomerism of cyameluric acid”, J. Mol. Struct (Theochem), 2005, 732: 127-137
44. Xiaoqin Liang, Wenxu Zheng, Ning-Bew Wong, Jingshan Li and Anmin Tian, “Theoretical study on the mechanism of keto-enol isomerization for cyanuric acid and cyameluric acid” J Mol. Struct. (Theochem), 2004, 672: 151-159
45. Weizhou Wang, Wenxu zheng, Xuemei Pu, et al, “The 1:1 glycine-water complex: some theoretical observations”, J. Mol. Struct (Theochem), 2002, 618: 235-244
46. Weizhou Wang, Wenxu Zheng, Xuemei Pu, Ning-Bew Wong, Anmin, Tian, “ An ab initio study of P-H…P interactions using the PH3…PH3 model complex”, J Mol. Struct. (Theochem), 2003, 625: 25-30
47. Xuemei Pu, Wenxu Zheng, Weizhou Wang, Anmin Tian, “ Quantum chemical study on intermolecular interaction for dimmers of hydroydiimide”, Acta Chim. Sinica, 2003, 61: 325-330
48. Ming Li, Wenxu Zheng, Rongxing He, Anmin Tian “Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 2. Structures of catalyst-alkoxyborane adduct with a four-membered ring and succeeding reaction intermediates”Intern.J.Quant.Chem., 2003, 93: 294-306
49. Ming Li, Wenxu Zheng, Anmin Tian “Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 3. Properties of intermediates during hydride transfer”, Intern.J.Quant.Chem. 2003, 93: 307-316
50. Weizhou Wang, Ning-Bew Wong, Wenxu Zheng, Anmin Tian “Theoretical Study on the Blueshifting Halogen Bond” J. Phys. Chem. A, 2004, 108: 1799-1805
51. Xuemei Pu, Weizhou Wang, Wenxu Zheng, Ning-Bew Wong, Anmin Tian, “The gas-phase conformations of (N-Cl)-glycine: some theoretical observations”, J. Mol. Struct (Theochem), 2003, 626: 133-142
52. Weizhou Wang, Xuemei pu, Wenxu zheng, Ning-Bew Wong, Anmin Tian. “Hyperconjugation versus intramolecular hydrogen bond: origin of the conformational preference of gaseous glycine”, Chem. Phys. Lett., 2003, 370: 147-153
53. Weizhou Wang, Xuemei Pu, Wenxu zheng, Ning-Bew Wong, Anmin Tian, “Some theoretical observations on the 1:1 glycine zwitterions - water complex:”, J. Mol. Struct ( Theochem), 2003, 626: 127-132
54. Weizhou Wang, Xuemei Pu, Wenxu Zheng, Ning-bew Wong, Anmin Tian, “On the importance of CP-corrected gradient optimization in the study of hydrogen bonded systems”, Chin. J. Chem., 2003, 21: 1586-1590
55. Ian J. S. Fairlamb, Simona Tommasi, Benjamin E. Moulton, Wenxu Zheng, Zhenyang Lin, Adrian C. Whitwood, “Conformational Flexibility in a Carbobicyclic Diphosphinite Ligand” Eur. J. Inorg. Chem. 2007, 3173–3178
（2023年4月更新）
