姓名：章永凡
性别：男
职称：研究员(博士生导师)
学历：研究生
职务：理论化学与分子设计计算研究所所长
电话：(0591)22866156
专业：物理化学
电子邮件：zhangyf@fzu.edu.cn
研究方向：理论与计算化学
教育工作经历
教学简介
科研简介
社会兼职
科研项目
2、固体表面反应机理的轨道作用分析方法与应用(20773024)，国家自然科学基金面上项目
3、若干典型三元化合物晶态材料功能调控机理的理论研究(90922022)，国家自然科学基金重大研究计划培育项目，2010.1~2012.12
4、负载型前过渡金属氧化物团簇模型催化剂构效关系的理论研究(21073035)，国家自然科学基金面上项目，2011.1~2013.12
5、新型红外波段二阶非线性光学晶体材料的理论设计方法与性能预测(21373048)，国家自然科学基金面上项目，2014.1~2017.12
6、固体表面电子结构的非混合态分析方法与程序设计(**)，教育部博士点基金，已结题
代表性论文
2.MaX.,HuS.M.,TanC.H.,ZhangY.F.*,ZhangX.D.,ShengT.L.*,WuX.T.,FromAntiferromagnetictoFerromagneticInteractioninCyanido-BridgedFe(III)–Ru(II)–Fe(III)ComplexesbyChangeoftheCentralDiamagneticCyanido-MetalGeometry,Inorg.Chem.,2013,52,11343.
3.ZhuJ.,GiordanoL.,LinS.J.,FangZ.X.,LiY,HuangX.,ZhangY.F.*,PacchioniG.*,TuningtheChargeStateof(WO3)3NanoclustersDepositedonMgO/Ag(001)Films,J.Phys.Chem.C,2012,116,17668.
4.JinH.,LinW.,ZhangY.,ZhuJ.,LiY.,ZhangY.F.*,DingK.N.,HuangX.*,ChenW.K.,EffectsofTidopingatthereducedSnO2(110)surfacewithdifferentoxygenvacancies:afirstprinciplesstudy,Theor.Chem.Acc.,2012,131,1231.
5.JinH.,ZhuJ.,ChenW.J.,FangZ.X.,LiY.,ZhangY.F.*,HuangX.*,DingK.N.,Ning,L.X.,ChenW.K.,EnhancedOxidationReactivityofWO3(001)SurfacethroughtheFormationofOxygenRadicalCenters,J.Phys.Chem.C,2012,116,5067.
6.ZhaoH.J.,ZhangY.F.,ChenL.*,StrongKleinman-ForbiddenSecondHarmonicGenerationinChiralSulfide:La4InSbS9,J.Am.Chem.Soc.,2012,134,1993.
7.ZhuJ.,JinH.,ZangL.L.,LiY.,ZhangY.F.*,DingK.N.,HuangX.*,NingL.X.,ChenW.K.,DepositionofNonstoichiometricTritungstenOxidesontheTiO2(110)Surface:APossibleWaytoStabilizetheUnstableClustersintheGasPhase,J.Phys.Chem.C,2011,115,15335.
8.JinH.,ZhuJ.,HuJ.M.,LiY.,ZhangY.F.*,HuangX.*,DingK.N.,ChenW.K.,Structuralandelectronicpropertiesoftungstentrioxides:fromclustertosolidsurface,Theor.Chem.Acc.,2011,130,103.
9.HuS.,ZhuJ.,WuL.,WangX.X.,LiuP.,ZhangY.F.*,LiZ.H.*,EffectofFluorinationonPhotocatalyticDegradationofRhodamineBoverIn(OH)ySz:PromotionorSuppression?,J.Phys.Chem.C,2011,115,460.
10.HuangY.Z.,WuL.M.,WuX.T.,LiL.H.,ChenL.*,ZhangY.F.*,Pb2B5O9I:AnIodideBoratewithStrongSecondHarmonicGeneration,J.Am.Chem.Soc.,2010,132,12788.
11.ZhuJ.,JinH.,ChenW.J.,LiY.,ZhangY.F.*,NingL.X.,HuangX.*,DingK.N.,ChenW.K.,StructuralandElectronicPropertiesofaW3O9ClusterSupportedontheTiO2(110)Surface,J.Phys.Chem.C,2009,113,17509.
12.ZhangY.F.,GiordanoL.,PacchioniG.*,GoldnanostructuresonTiOx/Mo(112)thinfilms,J.Phys.Chem.C,2008,112,191.
13.ZhangY.F.,GiordanoL.,PacchioniG*,Structure,composition,andelectronicpropertiesofTiOx/Mo(112)thinfilms,J.Phys.Chem.C,2007,111,7437.
14.ZhangY.F.,GiordanoL.,PacchioniG.*,VittadiniA.,SedonaF.,FinettiP.,GranozziG.,ThestructureofastoichiometricTiO2nanophaseonPt(111),Surf.Sci.,2007,601,3488.
15.LinW.,ZhangY.F.*,LiY.,DingK.N.,LiJ.Q.,XuY.J.,StructuralcharacterizationsandelectronicpropertiesofTi-dopedSnO2(110)surface:Afirst-principlesstudy,J.Chem.Phys.,2006,124,054704.
16.ZhangY.F.*,LinW.,LiY.,DingK.N,LiJ.Q.,AtheoreticalstudyontheelectronicstructuresofTiO2:EffectofHartree-Fockexchange,J.Phys.Chem.B,2005,109,19270.
17.ZhangY.F.*,VinesF.,XuY.J.,etal.,Roleofkineticsintheselectivesurfaceoxidationsoftransitionmetalcarbides，J.Phys.Chem.B,2006,110,15454.
18.ZhangY.F.*,SucC.H.,LiuZ.F.,etal.,CarbonnanotubesfunctionalizedbyNO2:Coexistenceofchargetransferandradicaltransfer,J.Phys.Chem.B,2006,110,22462.
19.ZhangY.F.,LiuZ.F.*,Pressureinducedreactivitychangeontheside-wallofacarbonnanotube:AcasestudyontheadditionofsingletO2,Carbon,2006,44,928.
20.ZhangY.F.,LiuZ.F.*,OxidationofzigzagcarbonnanotubesbysingletO2:Dependenceonthetubediameterandtheelectronicstructure,J.Phys.Chem.B,2004,108,11435.
21.ZhangY.F.,LiJ.Q.*,LiuZ.F.,SelectiveoxidationoftheTiC(001)surfacebyO2:Determinedbythesurfacestates,J.Phys.Chem.B,2004,108,17143.
22.FanX.L.,ZhangY.F.,LauW.M.,Liu.Z.F.*,AdsorptionoftripletO2onSi(100):Thecrucialstepintheinitialoxidationofasiliconsurface,Phys.Rev.Lett.,2005,94,016101.
23.FanX.L.,ZhangY.F.,LauW.M.,LiuZ.F.*,Violationofthesymmetryruleforthe［2+2］additioninthechemisorptionofC2H4onSi(100),Phys.Rev.B,2005,72,165305.
24.SuW.Y.,ZhangY.F.,LiZ.H.,WuL.,WangX.X.,LiJ.Q.,FuX.Z.,MultivalencyiodinedopedTiO2:Preparation,characterization,theoreticalstudies,andvisible-lightphotocatalysis,Langmuir,2008,24,3422.
获奖情况
其他
