导师姓名：郑文旭
性别：男
人气指数：91

所属院校：华南农业大学
所属院系：材料与能源学院
职称：副教授
导师类型：硕导
招生专业：应用化学、工业催化
研究领域： 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有机电致发光... [展开]


研究领域： 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有机电致发光材料、非线性光学材料的分子设计
3各种体系的分子动力学模拟，研究宏观体系的热力学和动力学性质与微观性质间的关系
4有机金属催化反应机理研究 [收起]




通讯方式 :
办公电话：**
电子邮件：wzheng@scau.edu.cn
通讯地址：广州市天河区五山路483号华南农业大学


个人简述 :
个人简介
博士，副教授，硕士生导师，现为华南农业大学材料与能源学院应用化学系教师,长期从事分子模拟研究工作，精通各种基础理论和模拟方法。近年来，在AngewandteChemieInternationalEdition、Macromolecules、Organometallics、AnalyticalChemistry、JournalofMaterialsChemistryC、中国科学等国内外著名学术刊物上发表SCI收录论文40余篇。
获奖荣誉
1、华南农业大学2011年度本科教学管理工作先进个人
2、华南农业大学2011-2012学年就业工作积极分子
3、华南农业大学2014年度优秀工会干部

科研工作 :
工作经历
2015/1-至今，华南农业大学，材料与能源学院，副教授
2008/7-2014/12，华南农业大学，理学院，副教授
2006/7-2008/6，香港科技大学，化学系，博士后
2005/7-2006/6，香港城市大学，生物及化学系，博士后
2004/3-2004/6，香港城市大学，生物及化学系，研究助理
2003/6-2003/9，香港中文大学，化学系，研究助理
科研项目
1、有机电致发光材料的分子设计及发光机理的理论研究
2、乙醇、甘油水蒸汽重整制氢催化剂的改性及反应机理研究
发表论文
1ZhaominNie,ZhiruiMai,YimingPeng,KaipingChen,YiyunZhang,WenxuZheng*.Computationaldesignofhighefficiencynonplanartri-s-triazine-basedambipolarhostmaterialsforphosphorescentblueemitters.PhysicalChemistryChemicalPhysics,18,33009-33020,2016.
2JingLi,ZhaominNie,HaiLi*,YimingPeng,ZiyuanWang,ZhiruiMai,WenxuZheng*.Computationalstudyontri-s-triazine-basedmoleculesasambipolarhostmaterialsforphosphorescentblueemitters:effectivelygeometricandelectronictuning.JournalofMaterialsChemistryC,3,4859-4867,2015.
3JingLi,WeiHu,XiaoweiZheng,Jundali,WenxuZheng*.TheoreticalStudyonIridiacycleandRhodiacycleFormationviaC-HActivationofPhenylImines.Organometallics,33（9）：2150-2159，2014.
4LiHuang,XiaoyuZhang,JingLi,KeDing,XuehuiLi,WenxuZheng,*BiaolinYin*.Synthesis,SkeletalRearrangement,andBiologicalActivitiesofSpirooxindoles:ExplorationofaStepwiseC-PiancatelliRearrangement.Europeanjournaloforganicchemistry,338–349,2014.
5WeiHu,SuwenDeng,JianyinHuang,YanmeiLu,XueyiLe,WenxuZheng*.Intercalativeinteractionofasymmetriccopper(II)complexwithDNA:Experimental,moleculardocking,moleculardynamicsandTDDFTstudies.JournalofInorganicBiochemistry,127:90-98,2013.
6WeiHu,JingLi,Suwendeng,JianyinHuang,XueyiLe,WenxuZheng*.ComputationalMechanisticStudyonOxidativeEsterificationofAlcoholstoEstersCatalyzedbyPalladiumComplex.JournalofOrganometallicChemistry,740:10-16,2013.
7ZiwuLiu,FengPeng,HongjuanWang,HaoYu,WenxuZheng,XianyongWei.Preparationofphosphorus-dopedcarbonnanospheresandtheirelectrocatalyticperformanceforO-2reduction.JournalofNaturalGasChemistry,21:257-264,2012.
8Zi-WuLiu,FengPeng,Hong-JuanWang,HaoYu,WenXuZheng,JianYang“Phosphorus-DopedGraphiteLayerswithHighElectrocatalyticActivityfortheO2ReductioninanAlkalineMedium”Angew.Chem.Int.Ed.,2011,50,3257-3261.
9HaoYu,FengPeng,JunTan,XiaoweiHu,HongjuanWang,JianYang,WenxuZheng“SelectiveCatalysisoftheAerobicOxidationofCyclohexaneintheLiquidPhasebyCarbonNanotubes”Angew.Chem.Int.Ed.,2011,50:3978-3982.
10ZhenlinXu,YudongShen,WenxuZheng,“Broad-SpecificityImmunoassayforO,O-DiethylOrganophosphorusPesticides:ApplicationofMolecularModelingtoImproveAssaySensitivityandStudyAntibodyRecognition”Anal.Chem.,2010,82:9314–9321.
11WenxuZheng,ZhongyuanZhou,ChakPoLau,ZhenyangLin,“StructureDeterminationofTpRu(PPh3)(κ2-N,O-NH=CPhN=CPhO):AStoryofHowComputationalStudiesContributetotheStructuralCharacterizationprocess”,J.Theor.Comput.Chem.,2009,3:417-422.
12WenxuZheng*,Kai-ChungLau,Ning-BewWong,Wai-KeeLi,“Theadiabaticelectronaffinities(EAs)fortheheteroatomicmoleculeSO4:AnMP2/CBSstudy”,Chem.Phys.Lett.,2009,467:402-406.
13QiangPeng,JunXu,MingjunLi,WenxuZheng“BlueEmittingPolyfluorenesContainingDendronizedCarbazoleandOxadiazolePendants:Synthesis,OpticalProperties,andElectroluminescentProperties”Macromolecules,2009,42:5478–5485.
14QiangPeng,JunXu,WenxuZheng“LowBandGapCopolymersBasedonThiopheneandQuinoxaline:TheirElectronicEnergyLevelsandPhotovoltaicApplication”JournalofPolymerScience:PartA:PolymerChemistry,2009,47:3399–3408.
15QiangPeng,JianpingZou,GuishengZeng,ZhenhaiWen,WenxuZheng“Stableblue-emittingmolecularmaterialderivedfromcalixareneandpyrazoline:Synthesis,opticalandelectrochemicalproperties”SyntheticMetals，2009,159:1944-1949.
16WenxuZheng,AlirezaAriafard,ZhenyangLin,“UnderstandingtheHighlyRegioselectiveCyanothiolationof1-AlkynesCatalyzedbyPalladiumPhosphineComplexes”,Organometallics,2008,27:246-253.
17WenxuZheng,Ning-BewWong,Wai-keeLi,AnminTian“AbsorptionSpectraofTri-s-triazines:TimeDependentDensityFunctionalTheoryCalculations”NewJ.Chem.,2006,30:1307-1318
18WenxuZheng,Ning-BewWong,Wai-keeLi,AnminTian“Theoreticalstudiesonthenonlinearopticalpropertiesofoctupolartri-s-triazines”J.Chem.TheoryComput.,2006,2:808-814
19WenxuZheng,Ning-BewWong,AnminTian“Anion-Tri-s-triazineBonding:ACaseforAnionRecognition”J.Phys.Chem.A,2005,109:1926-1932
20WenxuZheng,Ning-BewWong,Wai-keeLi,AnminTian“Tri-s-triazineandItsNitrogenIsoelectronicEquivalents:AnabInitioStudy”J.Phys.Chem.A,2004,108:11721-11727
21WenxuZheng,Ning-BewWong,XiaoqinLiang,XinpingLong,andAnminTian,“TheoreticalPredictionofPropertiesofTriazidotri-s-triazineandItsAzido-TetrazoleIsomerism”J.Phys.Chem.A,2004,108:840-847
22WenxuZheng,Ning-BewWong,WeizhouWang,GeZhou,AnminTian“TheoreticalStudyof1,3,4,6,7,9,9b-heptaazaphenaleneanditstenderivatives”J.Phys.Chem.A,2004,108:97-106.
23WenxuZheng,Ning-BewWong,GeZhou,XiaoqinLiang,JinshanLi,AnminTian“TheoreticalStudyoftri-s-triazineandsomeofitsderivatives”NewJ.Chem.,2004,28:275-283
24WenxuZheng,WeizhouWang,XuemeiPu,AnminTian,Ning-BewWong,“EffectofCP-correctedgradientoptimizationonthewater-radical(anion)dimmerhypersurface”,J.Mol.Struct(Theochem),2003,631:171-180
25WenxuZheng,XuemeiPu,WeizhouWang,AnminTian,“StudyofintermolecularinteractionbetweenH2OandNO、CN、OHradicalsandanions”,ActaChim.Sinica，2003,61:336-344
26WenxuZheng,MingLi,AnminTian“QuantumChemicalStudyonEnantioselectiveReductionofKetoOximeEtherwithBoraneCatalyzedbyOxazaborolidinePart4.ThereductionprocessinwhichoximeisreducedfirstandcarbonylisreducedthroughanintermediatecontainingaB(2)-N(3)-BBH2-OC=O-CC=O-CC=N-NC=N7-memberedring”J.Mol.Struct(Theochem),2003,634:253-264
27WenxuZheng,MingLi,AnminTian“QuantumChemicalStudyonEnantioselectiveReductionofKetoOximeEtherwithBoraneCatalyzedbyOxazaborolidinePart5.Thereductionprocessinwhichoximeisreducedfirstandcarbonylisreducedthrougha4-memberedringanda7-memberedringintermediates”,J.Mol.Struct(Theochem),2004,668:13-23
28ChungWingLeung,WenxuZheng,ZhongyuanZhou,ZhenyangLin,ChakPoLau,MechanismofCatalyticHydrationofNitrileswithHydrotris(pyrazolyl)borato(Tp)RutheniumComplexes,Organometallics,2008,27:4957-4969
29Kai-ChungLau,WenxuZheng,Ning-BewWong,Wai-KeeLi,“TheoreticalpredictionoftheionizationenergiesoftheC4H7radicals:1-methylallyl,2-methylallyl,cyclopropylmethylandcyclobutylradicals”J.Chem.Phys.,2007,127:154302-154312.
30ChungWingLeung,WenxuZheng,DexianWang,SiuManNg,ChiHungYeung,ZhongyuanZhou,ZhenyangLin,ChakPoLau,“CatalyticH/DExchangebetweenOrganicCompoundsandD2OwithTpRu(PPh3)(CH3CN)H(Tp=hydro(trispyrazolyl)borate).ReactionofTpRu(PPh3)(CH3CN)HwithWatertoFormAcetamidoComplexTpRu(PPh3)(H2O)(NHC(O)CH3)”,Organometallics,2007,26:1924-1933
31MingLi,WenxuZheng,AnminTian“Densityfunctionalstudyonenantioselectivereductionofketooximeetherwithboranecatalyzedbyoxazaborolidine”ScienceinChinaSeriesB:Chemistry2006,49:296-307
32HongweiZhou,WenxuZheng,XinWang,YiRen,Ning-BewWong,YuanjieShu,AnminTian,“AGaussian-3investigationonthestabilitiesandbondingofthenineN-10clusters”,J.Mol.Struct(Theochem),2005,732:139-148
33XiaoqinLiang,WenxuZheng,Ning-BewWong,YuanjieShu,AnminTian,“Solvent-assistedcatalysismechanismonKeto-enoltautomerismofcyameluricacid”,J.Mol.Struct(Theochem),2005,732:127-137
34XiaoqinLiang,WenxuZheng,Ning-BewWong,JingshanLiandAnminTian,“Theoreticalstudyonthemechanismofketo-enolisomerizationforcyanuricacidandcyameluricacid”JMol.Struct.(Theochem),2004,672:151-159
35WeizhouWang,Wenxuzheng,XuemeiPu,etal,“The1:1glycine-watercomplex:sometheoreticalobservations”,J.Mol.Struct(Theochem),2002,618:235-244
36WeizhouWang,WenxuZheng,XuemeiPu,Ning-BewWong,Anmin,Tian,“AnabinitiostudyofP-H…PinteractionsusingthePH3…PH3modelcomplex”,JMol.Struct.(Theochem),2003,625:25-30
37XuemeiPu,WenxuZheng,WeizhouWang,AnminTian,“Quantumchemicalstudyonintermolecularinteractionfordimmersofhydroydiimide”,ActaChim.Sinica,2003,61:325-330
38MingLi,WenxuZheng,RongxingHe,AnminTian“Quantumchemicalstudyonenantioselectivereductionofketooximeetherwithboranecatalyzedbyoxazaborolidine.Part2.Structuresofcatalyst-alkoxyboraneadductwithafour-memberedringandsucceedingreactionintermediates”Intern.J.Quant.Chem.,2003,93:294-306
39MingLi,WenxuZheng,AnminTian“Quantumchemicalstudyonenantioselectivereductionofketooximeetherwithboranecatalyzedbyoxazaborolidine.Part3.Propertiesofintermediatesduringhydridetransfer”,Intern.J.Quant.Chem.2003,93:307-316
40WeizhouWang,Ning-BewWong,WenxuZheng,AnminTian“TheoreticalStudyontheBlueshiftingHalogenBond”J.Phys.Chem.A,2004,108:1799-1805
41XuemeiPu,WeizhouWang,WenxuZheng,Ning-BewWong,AnminTian,“Thegas-phaseconformationsof(N-Cl)-glycine:sometheoreticalobservations”,J.Mol.Struct(Theochem),2003,626:133-142
42WeizhouWang,Xuemeipu,Wenxuzheng,Ning-BewWong,AnminTian.“Hyperconjugationversusintramolecularhydrogenbond:originoftheconformationalpreferenceofgaseousglycine”,Chem.Phys.Lett.,2003,370:147-153
43WeizhouWang,XuemeiPu,Wenxuzheng,Ning-BewWong,AnminTian,“Sometheoreticalobservationsonthe1:1glycinezwitterions-watercomplex:”,J.Mol.Struct(Theochem),2003,626:127-132
44WeizhouWang,XuemeiPu,WenxuZheng,Ning-bewWong,AnminTian,“OntheimportanceofCP-correctedgradientoptimizationinthestudyofhydrogenbondedsystems”,Chin.J.Chem.,2003,21:1586-1590
45IanJ.S.Fairlamb,SimonaTommasi,BenjaminE.Moulton,WenxuZheng,ZhenyangLin,AdrianC.Whitwood,“ConformationalFlexibilityinaCarbobicyclicDiphosphiniteLigand”Eur.J.Inorg.Chem.2007,3173–3178

教育背景 :
2001/9-2005/7，四川大学，物理化学，博士
1998/9-2001/7，西南师范大学，物理学化学，硕士
1994/9-1998/7，西南师范大学，化学，学士