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发表SCI收录论文230多篇，出版教材2本，部分重要论文如下：
1.Mi-MiDong,Zi-QunWang,Guang-PingZhang,Chuan-KuiWang,Xiao-XiaoFu,Surfaceengineeringofphosphorenenanoribbonsbytransitionmetalheteroatomsforspintronics,PhysicalChemistryChemicalPhysics,inpress.
2.KaiZhang,LeiCai,JianzhongFan,YuchenZhang,LiliLin,Chuan-KuiWang,Effectofintermolecularinteractiononexcited-statepropertiesofthermallyactivateddelayedfluorescencemoleculesinsolidphase:AQM/MMstudy,SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,209(2019),248-255.
3.Ming-ZhiWei,XiYu,Zi-QunWang,Chuan-KuiWang,Guang-PingZhang,Controllingtherecticationperformancebytuningmolecule-electrodecouplingstrengthinferrocenyl-undecanethiolatemoleculardiodes,TheJournalofPhysicalChemistryC,123(3)(2019),1559-1565.
4.ShuaiQiu,Yuan-YuanMiao,Guang-PingZhang,Jun-FengRen,Chuan-KuiWang,Gui-ChaoHu,Enhancementofmagnetoresistanceandcurrentspinpolarizationinsinglemoleculejunctionsbymanipulatingthehybridinterfacestatesviaanchoringgroups,JournalofMagnetismandMagneticMaterials,479(2019),247-253.
5.ShuaiQiu,ZhaoZhang,Yuan-yuanMiao,Guang-pingZhang,Jun-fengRen,Chuan-kuiWang,Gui-chaoHu,Modulationofspatialspinpolarizationatorganicspinterfacebysidegroups,AppliedSurfaceScience,427(2018),416-420.
6.Guang-PingZhang,Yan-QiMu,Ming-ZhiWei,ShanWang,HuiHuang,Gui-ChaoHu,Zong-LiangLi,Chuan-KuiWang,Designingmolecularrectifiersandspinvalvesusingmetallocene-functionalizedundecanethiolates:onetransitionmetalatommatters,JournalofMaterialsChemistryC,6(8)(2018),2105-2112.
7.Jian-ZhongFan,Yu-ChenZhang,ZhouYong,Li-LiLin,Chuan-KuiWang,ExcitedStatePropertiesofaThermallyActivatedDelayedFluorescenceMoleculeinSolidPhaseStudiedbyQuantumMechanics/MolecularMechanicsMethod,JournalofPhysicalChemistryC,122(4)(2018),2358-2366.
8.LiuRan,BiJun-jie,XieZhen,YinKaikai,WangDunyou,ZhangGuang-Ping,XiangDong,WangChuan-Kui,LiZong-Liang,Fabricatingatom-sizedgapsbyfield-aidedatommigrationinnanoscalejunctions,PhysicalReviewApplied,9(5)(2018),054023.
9.ZhikaiZhao,RanLiu,DirkMayer,MaristellaCoppola,LuSun,YoungsangKim,ChuankuiWang,LifaNi,XingChen,MaoningWang,ZongliangLi,TakheeLee,DongXiang,Shapingtheatomic-scalegeometriesofelectrondestocontrolopticalandelectricalperformanceofmoleculardevices,Small,14(15)(2018),1703815.
10.JianhuiYang,ShaozhengZhang,AnpingWang,RuiningWang,Chuan-KuiWang,Guang-PingZhang,LiangChen,Highmagnetoresistanceinultra-thintwodimensionalCr-basedMXenes,Nanoscale,10(41)(2018),19492-19497.
11.Guang-PingZhang,Yan-QiMu,Ming-ZhiWei,ShanWang,HuiHuang,Gui-ChaoHu,Zong-LiangLi,Chuan-KuiWang,Designingmolecularrectifiersandspinvalvesusingmetallocene-functionalizedundecanethiolates:onetransitionmetalatommatters,JournalofMaterialsChemistryC,6(8)(2018),2105-2112.
12.Zi-QunWang,Ming-ZhiWei,Mi-MiDong,Gui-ChaoHu,Zong-LiangLi,Chuan-KuiWang,Guang-PingZhang,High-PerformanceSingle-MoleculeSwitchDesignedbyChangingParityofElectronicWaveFunctionsviaIntramolecularProtonTransfer,JournalofPhysicalChemistryC,122(31)(2018),17650-17659.
13.LiliLin,LeiCai,JianzhongFan,Chuan-KuiWang,ElectroluminescentMechanismofThermallyActivatedDelayedFluorescenceEmitters:ConformationalEffect,JournalofPhysicalChemistryC,122(34)(2018),19953-19961.
14.ShuaiQiu,ZhaoZhang,YuanyuanMiao,GuangpingZhang,JunfengRen,Chuan-kuiWang,GuichaoHu,Modulationofspatialspinpolarizationatorganicspinterfacebysidegroups,AppliedSurfaceScience,427(2018),416-420.
15.Ming-ZhiWei,Zi-QunWang,Xiao-XiaoFu,Gui-ChaoHu,Zong-LiangLi,Chuan-KuiWang,Guang-PingZhang,Theoreticalunderstandingoftheinversionofrectificationdirectioninferrocenyl-embeddedtridecanethiolatesingle-moleculerectifiers,PhysicaE:Low-dimensionalSystemsandNanostructures,103(2018),397-402.
16.LiliLin,JianzhongFan,LeiCai,Chuan-KuiWang,Excitedstatedynamicsofnew-typethermallyactivateddelayedfluorescenceemitters:theoreticalviewoflight-emittingmechanism,MolecularPhysics,166(1)(2018),19-28.
17.JingjingGuo,JianzhongFan,LiliLin,JiajieZeng,HaoLiu,Chuan-KuiWang,ZujinZhao,BenzhongTang,MechanicalInsightsintoAggregation-InducedDelayedFluorescenceMaterialswithAnti-KashaBehavior,AdvancedScience,(2018),1801629.
18.ZhenXie,SaiDuan,GuangjunTian,Chuan-KuiWang,YiLuo,Theoreticalmodelingoftip-enhancedresonanceRamanimagesofswitchableazobenzenemoleculesonAu(111),Nanoscale,10(25)(2018),11850-11860.
19.YuanyuanMiao,ShuaiQiu,GuangpingZhang,JunfengRen,Chuan-KuiWang,GuichaoHu,Ground-statepropertiesofmetal/organic-ferromagnetheterojunctions,PhysicalReviewB,98(2018),235415.
20.YangSong,YanSu,PengZhao,Guang-PingZhang,Chuan-KuiWang,GangChen,Azulene-likemoleculardeviceswithhighspinfiltering,strongspinrectifying,andgiantmagnetoresistanceeffects,OrganicElectronics,59(2018),113-120.
21.YuanyuanMiao,ShuaiQiu,GuangpingZhang,JunfengRen,Chuan-kuiWang,GuichaoHu,Polaronsinorganicferromagnets,OrganicElectronics,55(2018),133-139.
22.CuijuYu,YuanyuanMiao,ShuaiQiu,YangjunCui,GuangmengHe,GuangpingZhang,Chuan-kuiWang,GuichaoHu,Modulatingspin-dependentelectrontransportinbenzene-dithiolatemagneticjunctionsbyhybridinterfacestates,JournalofPhysicsD:AppliedPhysics,51(34)(2018),345302.
23.YongMa,Sheng-YuWang,JingHu,YongZhou,XiunengSong,TheoreticalIdentificationoftheSixStableC84IsomersbytheIR,XPSandNEXAFSSpectra,J.Phys.Chem.A,122(4)(2018),1019-1026.
24.YongMa,Sheng-YuWang,JingHu,Xiu-NengSong,YongZhou,Chuan-KuiWang,TheoreticalNK-edgeNEXAFSspectroscopystudyforconfigurationofadipolarmoleculeongraphene,MaterialsChemistryandPhysics,207(2018),309-314.
25.Y.Z.Song,Y.Zhang,S.B.Gao,Q.T.Meng,C.K.Wang,M.Y.Ballester,AglobalpotentialenergysurfaceforH2S+(X4A’’)andquasi-classicaltrajectorystudyoftheS+(4S)+H2(X1Σ+g)reaction,MolecularPhysics,116(1)(2018),129-141.
26.JunSong,KeZhao,HanZhang,Chuan-KuiWang,Two-photonabsorptionpropertiesofD-A-DTypechromophorescontainingtetraphenylethyleneandtriphenylaminemoieties:Acloselookattheeffectsofthestrength,positionandnumberofdonors,MolecularPhysics,(2018),672-680.
27.KeZhao,JunSong,Mei-YuZhu,HanZhang,Chuan-KuiWang,Isomerismandcoordinationmodeeffectsontwo-photonabsorptionoftris(picolyl)amine-basedfluorescentprobesforzincions,ChinesePhysicsB,27(10)(2018),103301.
28.Mei-YuZhu,KeZhao,JunSong,Chuan-KuiWang,Responsivemechanismandmoleculardesignofdi-2-picolylamine-basedtwo-photonfluorescentprobesforzincions,ChinesePhysicsB,27(2)(2018),023302.
29.Zi-QunWang,YongfangLi,XiaoNiu,Ming-ZhiWei,Mi-MiDong,Gui-ChaoHu,Zong-LiangLi,DunyouWang,Chuan-KuiWang,Guang-PingZhang,Controllingtheconductanceofsingle-moleculejunctionswithhighspinfilteringefficiencybyintramolecularprotontransfer,OrganicElectronics,64(2018),7-14.
30.ZhenXie,SaiDuan,Chuan-KuiWang,YiLuo,Lightinguplong-rangecharge-transferstatesbyalocalizedplasmonicfield,Nanoscale,9(46)(2017),18189-18193.
31.JianzhongFan,LiliLin,Chuan-KuiWang,Excitedstatepropertiesofnon-dopedthermallyactivateddelayedfluorescenceemitterswithaggregation-inducedemission:aQM/MMstudy,JournalofMaterialsChemistryC,5(33)(2017),8390-8399.
32.GuichaoHu,ShijieXie,Chuan-KuiWang,CarstenTimm,Spin-dependenttransportandfunctionaldesigninorganicferromagneticdevices,BeilsteinJournalofNanotechnology,8(2017),1919-1930.
33.ZhaoZhang,ShuaiQiu,Yuan-yuanMiao,Guang-pingZhang,Jun-fengRen,Chuan-KuiWang,Gui-chaoHu,Spinselectionatorganicspinterfacebyanchoringgroup,AppliedSurfaceScience,409(2017),60-64.
34.Guang-PingZhang,ShanWang,Ming-ZhiWei,Gui-ChaoHu,Chuan-KuiWang,TuningtheDirectionofRectificationbyAdjustingtheLocationoftheBipyridylGroupinAlkanethiolateMolecularDiodes,JournalofPhysicalChemistryC,121(2017),7643-7648.
35.Guang-PingZhang,ZhenXie,YangSong,Ming-ZhiWei,Gui-ChaoHu,Chuan-KuiWang,Isthereaspecificcorrelationbetweenconductanceandmoleculararomaticityinsingle-moleculejunctions?OrganicElectronics,48(2017),29-34.
36.ShanWang,Ming-ZhiWei,Gui-ChaoHu,Chuan-KuiWang,Guang-PingZhang,Mechanismsoftheodd-eveneffectanditsreversalinrectifyingperformanceofferrocenyl-n-alkanethiolatemoleculardiodes,OrganicElectronics,49(2017),76-84.
37.Guang-PingZhang,ZhenXie,YangSong,Gui-ChaoHu,Chuan-KuiWang,TowardsRectifyingPerformanceattheMolecularScale,TopicsinCurrentChemistry,375(6)(2017),85.
38.Wen-XiaSu,XiZuo,ZhenXie,Guang-PingZhang,Chuan-KuiWang,Obviousmodulationofrectifyingperformancebyconjugationbreakingofthebridgingfragmentindonor-bridge-acceptormoleculardiodes,RSCAdvances,7(2017),14200-14205.
39.Zong-LiangLi,Xiao-HuaYi,RanLiu,Jun-JieBi,Huan-YanFu,Guang-PingZhang,Yu-ZhiSong,Chuan-KuiWang,EffectofH2OAdsorptiononNegativeDifferentialConductanceBehaviorofSingleMolecularJunction,ScientificReports,7(2017),4195.
40.ZhangGuang-Ping,WangShan,WeiMing-Zhi,HuGui-Chao,WangChuan-Kui,TuningtheDirectionofRectificationbyAdjustingtheLocationoftheBipyridylGroupinAlkanethiolateMolecularDiodes,JournalofPhysicalChemistryC,121(4)(2017),7643-7648.
41.YangSong,YanSu,Guang-PingZhang,Chuan-KuiWang,GangChen,Hydrogenation-inducedgiantrectifyingbehaviorsinsiliceneandgermaneneheterojunctions,ComputationalMaterialsScience,129(2017),37-43.
42.JianzhongFan,LiliLin,Chuan-KuiWang,Molecularstackingeffectonphotoluminescencequantumyieldandchargemobilityoforganicsemiconductors,PhysicalChemistryChemicalPhysics,19(44)(2017),30147-30156.
43.LiliLin,ZhongjieWang,JianzhongFan,Chuan-KuiWang,Theoreticalinsightsontheelectroluminescentmechanismofthermallyactivateddelayedfluorescenceemitters,OrganicElectronics,41(2017),14-25.
44.LiliLin,JianzhongFan,LeiCai,Chuan-KuiWang,Theoreticalperspectiveforinternalquantumefficiencyofthermallyactivateddelayedfluorescenceemitterinsolidphase:AQM/MMstudy,OrganicElectronics,51(2017),349-356.
45.LiliLin,JianzhongFan,LeiCai,Chuan-KuiWang,TheoreticalPerspectiveoftheExcitedStateIntramolecularProtonTransferforaCompoundwithAggregationInducedEmissionintheSolidPhase,RSCAdvances,7(2017),44089-44096.
46.LiliLin,JianzhongFan,LeiCai,Chuan-KuiWang,ExcitedStateDynamicsofNew-typeThermallyActivatedDelayedFluorescenceEmitters:TheoreticalViewofLight-EmittingMechanism,MolecularPhysics,116(2017),1-10.
47.ZhenXie,SaiDuan,GuangjunTian,Chuan-KuiWang,YiLuo,Lightinguplong-rangecharge-transferstatesbylocalizedplasmonicfield,Nanoscale,9(46)(2017),18189-18193.
48.WangGuang-Wei,MaYong,SongXiu-Neng,JiangShou-Zhen,YueWei-Wei,WangChuan-Kui,LuoYi,TheoreticalIsomerIdentificationofThreeC-56FullerenesandTheirChlorinatedDerivativesbyXPSandNEXAFSSpectra,JournalofPhysicalChemistryC,120(25)(2016),13779-13786.
49.YangSong,ZhenXie,YongMa,Zong-liangLi,Chuan-KuiWang,Giantrectificationratiosofazulene-likedipolemolecularjunctionsinducedbychemicaldopinginarmchair-edgedgraphenenanoribbonelectrodes,JournalofPhysicalChemistryC,118(32)(2014),18713-18720.
50.Guang-PingZhang,Gui-ChaoHu,YangSong,ZhenXie,Chuan-KuiWang,Stretchorcontractioninducedinversionofrectificationindiblockmolecularjunctions,JournalofChemicalPhysics,139(9)(2013),094702.
51.SongYang,XieZhen,ZhangGuang-Ping,MaYong,WangChuan-Kui,BiasDependenceofRectifyingDirectioninaDiblockCo-oligomerMoleculewithGrapheneNanoribbonElectrodes,JournalofPhysicalChemistryC,117(40)(2013),20951-20957.
52.SongXiu-Neng,HuaWei-Jie,MaYong,WangChuan-Kui,LuoYi,TheoreticalStudyofCoreExcitationsofFullerene-BasedPolymerSolarCellAcceptors,JournalofPhysicalChemistryC,116(45)(2012),23938-23944.
53.ZhangGuang-Ping,HuGui-Chao,SongYang,LiZong-Liang,WangChuan-Kui,ModulationofRectificationinDiblockCo-oligomerDiodesbyAdjustingAnchoringGroupsforBothSymmetricandAsymmetricElectrodes,JournalofPhysicalChemistryC,116(41)(2012),22009-22014.
54.SongXiu-Neng,MaYong,WangChuan-Kui,DietrichPaulM.Unger,WolfgangE.S.,LuoYi,EffectsofProtonation,HydrogenBonding,andPhotodamagingonX-raySpectroscopyoftheAmineTerminalGroupinAminothiolateMonolayers,JournalofPhysicalChemistryC,116(23)(2012),12649-12654.
55.ZhangGuang-Ping,HuGui-Chao,LiZong-Liang,WangChuan-Kui,TheoreticalStudiesonProtonation-InducedInversionoftheRectifyingDirectioninDipyrimidinyl-DiphenylDiblockMolecularJunctions,JournalofPhysicalChemistryC,116(5)(2012),3773-3778.
56.MiaoQuan,DingHong-Juan,SunYu-Ping,Gel'mukhanovFaris,WangChuan-Kui,Numericalanalysisonopticallimitingperformanceofaseriesofphthalocyaninesfornanosecondpulses,JournalofPhysicsB:Atomic,MolecularandOpticalPhysics,45(8)(2012),085402.
57.LinLi-Li,ZouBin,WangChuan-Kui,LuoYi,AssignmentsofInelasticElectronTunnelingSpectraofSemifluorinatedAlkanethiolMolecularJunctions,JournalofPhysicalChemistryC,115(41)(2011),20301-20306.
58.LiZong-Liang,ZhangGuang-Ping,WangChuan-Kui,First-PrinciplesStudyonFormationandElectron-TransportPropertiesofSingleOligothiopheneMolecularJunctions,JournalofPhysicalChemistryC,115(31)(2011),15586-15591.
59.ZhouYong,MiaoQuan,SunYu-Ping,Gel'mukhanovFaris,WangChuan-Kui,SolventeffectondynamicalTPAandopticallimitingofBDMASmolecularmediafornanosecondandfemtosecondlaserpulses,JournalofPhysicsB:Atomic,MolecularandOpticalPhysics,44(3)(2011),035103.
60.ZhouYong,MiaoQuan,WangChuan-Kui,EffectofLorentzlocalfieldcorrectiononpropagationofultrashortlaserpulseinone-dimensionalpara-nitroaniline(PNA)molecules,ChinesePhysicsB,20(4)(2011),044205.
61.Li-LiLin,Chuan-KuiWang,YiLuo,InelasticElectronTunnelingSpectroscopyofGold-Benzenedithiol-GoldJunctions:AccurateDeterminationofMolecularConformation,ACSNano,5(3)(2011),2257-2263.
62.Li-LiLin,Xiu-NengSong,Jian-CaiLeng,Zong-LiangLi,YiLuo,Chuan-KuiWang,Determinationoftheconfigurationofasinglemoleculejunctionbyinelasticelectrontunnelingspectroscopy,JournalofPhysicalChemistryC,114(11)(2010),5199-5202.
63.SunYu-Ping,LiuJi-Cai,WangChuan-Kui,Gel'mukhanovFaris,Propagationofastrongx-raypulse:Pulsecompression,stimulatedRamanscattering,amplifiedspontaneousemission,lasingwithoutinversionandfour-wavemixing,PhysicalReviewA,81(1)(2010),052506.
64.SunYu-Ping,WangChuan-Kui,Gel'mukhanovFaris,RotationalDopplereffectinx-rayphotoionization,PhysicalReviewA,82(5)(2010),013812.
65.LiuJi-Cai,SunYu-Ping,WangChuan-Kui,AgrenHans,Gel'mukhanovFaris,Augereffectinthepresenceofstrongx-raypulses,PhysicalReviewA,81(4)(2010),043412.
66.WangChuan-Kui,ZhaoPeng,MiaoQuan,Sun,Yu-Ping,ZhouYong,Opticallimitinganddynamicaltwo-photonabsorptionoforganiccompoundsforananosecondpulse,JournalofPhysicsB:Atomic,MolecularandOpticalPhysics,43(10)(2010),105601.
67.SunYu-Ping,RinkeviciusZilvinas,WangChuan-Kui,CarniatoStephane,SimonMarc,TaiebRichard,Gel'mukhanovFaris,Two-photon-inducedx-rayemissioninneonatoms,PhysicalReviewA,82(4)(2010),043430.
68.WangChuan-Kui,ZhangZhen,DingMing-Cui,LiXiao-Jing,SunYuan-Hong,ZhaoKe,Two-photonabsorptionpropertiesofaggregationsystemsonthebasisof(E)-4-(2-nitrovinyl)benzenaminemolecules,ChinesePhysicsB,19(10)(2010),103304.
69.SunYu-Ping,LiuJi-Cai,WangChuan-Kui,Gel'mukhanovFaris,Thepropagationofastrongx-raypulsefollowedbypulseslowdownandcompression,amplifiedspontaneousemissionandlasingwithoutinversion,JournalofPhysicsB:Atomic,MolecularandOpticalPhysics,81(1)(2009),013812.
70.Y.-P.Sun,S.Gavrilyuk,J.-C.Liu,C.-K.Wang,H.Ågren,F.Gel’mukhanov,OpticallimitingandpulsereshapingofpicosecondpulsetrainsbyfullereneC60,JournalofElectronSpectroscopyandRelatedPhenomena,JournalofElectronSpectroscopyandRelatedPhenomena,174(1-3)(2009),125-130.
71.Yu-PingSun,Ji-CaiLiu,FarisGel'mukhanov,SlowdownandcompressionofastrongX-rayfree-electronpulsepropagatingthroughtheMgvapors,EurophysicsLetters,87(6)(2009),64002.
72.Ji-CaiLiu,VivianeCostaFelicíssimo,FreddyFernandesGuimarães,Chuan-KuiWang,FarisGel'mukhanov,Coherentcontrolofpopulationandpulsepropagationbeyondtherotatingwaveapproximation,JournalofPhysicsB:Atomic,MolecularandOpticalPhysics,41(7)(2008),074016.
73.Ji-CaiLiu,Chuan-KuiWang,FarisGel’mukhanov,Opticallimitingofshortlaserpulses,PhysicalReviewA,76(2007),053804.
74.Ji-CaiLiu,Chuan-KuiWang,FarisGel’mukhanov,Dynamicsofmultilevelmoleculesandpulsepropagationbeyondrotatingwaveapproximationneartwo-photonresonance,PhysicalReviewA,76(2007),043422.
75.Zong-LiangLi,BinZou,Chuan-KuiWang,YiLuo,Electronictransportpropertiesofmolecularbipyridinejunctions:effectsofisomerandcontactstructures,PhysicalReviewB,73(7)(2006),075326.
76.Chuan-KuiWang,YanHuaWang,YanSu,YiLuo,Solventdependenceofsolvatochromicshiftsandthefirsthyperpolarizabilityofpara-nitroaniline:Anon-monoticbehavior,JournalofChemicalPhysics,119(8)(2003),4409-4412.
77.Chuan-KuiWang,YingFu,YiLuo,Aquantumchemistryapproachforcurrent-voltagecharacterizationofmolecularjunctions,PhysicalChemistryChemicalPhysics,3(22)(2001),5017-5023.
78.Chuan-KuiWang,PeterMacak,YiLuo,HansAgren,Effectsofπ-centersandsymmetryontwo-photonabsorptioncrosssectionsoforganicchromophores,JournalofChemicalPhysics,114(22)(2001),9813-9820.
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