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个人简介

2012.12至今中国科学院化学研究所,研究员/博士生导师 2008.03-2012.11佐治亚理工学院,博士后,导师:Jean-LucBrédas教授 2002.09-2008.01中国科学院化学研究所,物理化学,博士,导师:帅志刚教授 1998.09-2002.07中国科学技术大学,高分子材料与工程,学士 2000.09-2002.07中国科学技术大学,计算机科学与技术,双学士

研究领域

研究兴趣 (1)电子结构计算方法与分子微观电子过程和性质 分子的微观电子结构性质(分子能级和激发态结构)是理解有机功能材料的光电机制和性质的基础。由于强的电子关联和电-声子耦合效应,精确描述分子的电子结构也是理论化学领域长期以来面临的一个难题。另外,周围环境与分子之间的相互极化对分子体系的电子性质具有重要的影响。我们研究的首要目标是通过发展和运用先进的电子结构方法,精确表征有机光电分子体系的电子耦合、电-声子耦合、非绝热耦合、以及电子极化能等电子性质参数,从微观上阐明有机功能材料的光电机制和物理过程,同时为准确计算和预测材料的光电性能奠定基础。 (2)分子间相互作用与分子自组装过程和聚集态结构 电子耦合、电-声子耦合和电子极化能等微观性质十分依赖于分子间排列,而且多层级的分子堆积也为电荷和激发态载流子的运动和演变提供空间拓扑网络,因而准确理解分子结构与光电性能之间的关系就必须获得精确的分子堆积结构。然而,除非单晶体系,目前的实验技术无法精确测量分子的排列结构。另一方面,有机体系是通过分子间弱相互作用进行组装,分子堆积结构和形貌容易受到分子结构、处理工艺、以及加工环境的影响;实际器件采用多层的结构,还存在多种界面。我们研究的另一目标是通过发展和运用可靠的分子动力学方法,准确表征分子间相互作用并考虑实际加工条件,仿真模拟分子组装过程,揭示有机光电功能材料和器件中的分子排列和界面结构。 (3)电荷和激发态动力学与材料的光电性能及构效关系 我们研究的最终目标是通过发展和运用多尺度的理论方法,从分子的化学结构出发,基于精确表征的微观电子性质参数和分子堆积结构,可靠模拟电荷和激发态的动力学,实现理论计算直接给出材料和器件的光电性能,全面地理解和揭示光电机制以及结构-性能关系,为理性设计新材料提供指导帮助。

近期论文

查看导师新发文章 (温馨提示:请注意重名现象,建议点开原文通过作者单位确认)

2020年发表论文 201.Barrier-FreeChargeSeparationEnabledbyElectronicPolarizationinHigh-EfficiencyNon-fullereneOrganicSolarCells Tu,Zeyi;Han,Guangchao;Yi,Yuanping* TheJournalofPhysicalChemistryLetters,DOI:10.1021/acs.jpclett.0c00405 200.Suppressingtripletdecayinquinoidalsingletfissionmaterials:theroleofmolecularplanarityandrigidity Duan,Ruihong;Han,Guangchao;Zeng,Yan;Peng,Qian;Yi,Yuanping* PhysicalChemistryChemicalPhysics,DOI:10.1039/C9CP06987A 199.AchievinganEfficientandStableMorphologyinOrganicSolarCellsViaFine-TuningtheSideChainsofSmall-MoleculeAcceptors Chang,Meijia#;Meng,Lingxian#;Wang,Yunchuang;Ke,Xin;Yi,Yuan-Qiu-Qiang;Zheng,Nan;Zheng,Wenyu;Xie,Zengqi;Zhang,Mingtao;Yi,Yuanping;Zhang,Hongtao;Wan,Xiangjian;Li,Chenxi;Chen,Yongsheng* ChemistryofMaterials,DOI:10.1021/acs.chemmater.0c00097 198.Designingtheefficientlithiumdiffusionandstoragechannelsbasedongraphdiyne Li,Xiaodong;Wang,Ning*;He,Jianjiang;Yang,Ze;Tu,Zeyi;Zhao,Fuhua;Wang,Kun;Yi,Yuanping;Huang,Changshui* Carbon,2020,162:579-585 197.ControllableSynthesisofGraphdiyneNanoribbons Zhou,Weixiang;Shen,Han;Zeng,Yan;Yi,Yuanping;Zuo,Zicheng;Li,Yongjun*;Li,Yuliang AngewandteChemieInternationalEdition,2020,59(12):4908-4913 196.MonolayerTwo-dimensionalMolecularCrystalsforUltrasensitiveOFET-basedChemicalSensor Li,Haiyang;Shi,Yanjun;Han,Guangchao;Liu,Jie;Zhang,Jing;Li,Chunlei;Liu,Jie;Yi,Yuanping;Li,Tao;Gao,Xike;Di,Chongan;Huang,Jia;Che,Yanke;Wang,Dong;Hu,Wenping;Liu,Yunqi;Jiang,Lang* AngewandteChemieInternationalEdition,2020,59(11):4380-4384 195.Electronicpolarizationindipolarorganicmolecularsemiconductors:Thecasestudyof1,2,3,4-tetrafluoro-6,7-dimethylnaphthalenecrystal Ma,Xiaoyi;Yi,Yuanping* ChineseChemicalLetters,2020,31(3):797-800 194.Dicyclohepta[ijkl,uvwx]rubicenewithTwoPentagonsandTwoHeptagonsasaNewStableandPlanarNon-benzenoidNanographene Zhang,Xi-Sha#;Huang,Yan-Ying#;Zhang,Jing;Meng,Wei;Peng,Qian;Kong,Ruirui;Xiao,Zhenwei;Liu,Jie;Huang,Miaofei;Yi,Yuanping;Chen,Liangliang;Fan,Qingrui;Liu,Zitong;Zhang,Guanxin;Jiang,Lang;Zhang,Deqing* AngewandteChemieInternationalEdition,2020,59(9):3529-3533 193.AccurateDeterminationoftheMinimumHOMOOffsetforEfficientChargeGenerationusingOrganicSemiconductingAlloys Zhang,Jianyun#;Liu,Wenrui#;Zhou,Guanqing#;Yi,Yuanping;Xu,Shengjie;Liu,Feng;Zhu,Haiming;Zhu,Xiaozhang* AdvancedEnergyMaterials,2020,10(5):1903298 192.ElectronHoppingbyInterfacingSemiconductingGraphdiyneNanosheetsandRedoxMoleculesforSelectiveElectrocatalysis Guo,Shuyue;Yu,Ping;Li,Weiqi;Yi,Yuanping;Wu,Fei*;Mao,Lanqun* JournaloftheAmericanChemicalSociety,2020,142(4):2074-2082 191.Clustering-TriggeredEfficientRoomTemperaturePhosphorescencefromNonconventionalLuminophores Zheng,Shuyuan;Hu,Taiping;Bin,Xin;Wang,Yunzhong;Yi,Yuanping*;Zhang,Yongming;Yuan,WangZhang* ChemPhysChem,2020,21(1):36-42 190.Two-dimensionalelectronicandcharge-transportpropertiesofamonolayerorganiccrystal:Impactsofthecollineartransfer-integralcorrelations Li,Yuan*;Yi,Yuanping;Cui,Bin;Chen,Jiezhi* OrganicElectronics,2020,78:105609 189.Heteroatomsubstitution-inducedasymmetricA–D–Atypenon-fullereneacceptorforefficientorganicsolarcells Li,Chao;Song,Jiali;Cai,Yunhao;Han,Guangchao;Zheng,Wenyu;Yi,Yuanping;Ryu,HwaSook;Woo,HanYoung;Sun,Yanming* JournalofEnergyChemistry,2020,40:144-150 2019年发表论文 188.Selenium-SubstitutedDiketopyrrolopyrrolePolymerforHigh-Performancep-TypeOrganicThermoelectricMaterials Ding,Jiamin#;Liu,Zitong#;Zhao,Wenrui;Jin,Wenlong;Xiang,Lanyi;Wang,Zhijie;Zeng,Yan;Zou,Ye;Zhang,Fengjiao;Yi,Yuanping;Diao,Ying;McNeill,ChristopherR.;Di,Chong-an*;Zhang,Deqing*;Zhu,Daoben AngewandteChemieInternationalEdition,2019,58(52):18994-18999 187.InterfacialPassivationforPerovskiteSolarCells:TheEffectsofFunctionalGroupinPhenethylammoniumIodide Zhuang,Jing;Mao,Peng*;Luan,Yigang;Yi,Xiaohui;Tu,Zeyi;Zhang,Yanyan;Yi,Yuanping;Wei,Yuanzhi;Chen,Ningli;Lin,Tao;Wang,Fuyi;Li,Cheng;Wang,Jizheng* ACSEnergyLetters,2019,4(12):2913-2921 186.ConformationalandAggregationPropertiesofPffBT4TPolymers:AtomisticInsightintotheImpactofAlkyl-ChainBranchingPositions Ning,Lu;Han,Guangchao*;Yi,Yuanping* JournalofMaterialsChemistryC,2019,7(45):14198-14204 185.Angular-FusedDithianaphthylquinoneDerivative:SelectiveSynthesis,ThermallyActivatedDelayedFluorescenceProperty,andApplicationinOrganicLight-EmittingDiode Liu,Jianjun;Li,Zhiyi;Hu,Taiping;Wei,Xiaofang;Wang,Ruifang;Hu,Xiaoxiao;Gao,Honglei;Liu,Guanhao;Yi,Yuanping*;Yamada-Takamura,Yukiko;Lee,Chun-Sing;Wang,Pengfei;Wang,Ying* OrganicLetters,2019,21(21):8832-8836 184.RationalTuningofMolecularInteractionandEnergyLevelAlignmentEnablesHigh-PerformanceOrganicPhotovoltaics Wang,Rui#;Yuan,Jun#;Wang,Rui;Han,Guangchao;Huang,Tianyi;Huang,Wenchao;Xue,Jingjing;Wang,Hao-Cheng;Zhang,Chunfeng;Zhu,Chenhui;Cheng,Pei;Meng,Dong;Yi,Yuanping*;Wei,Kung-Hwa;Zou,Yingping*;Yang,Yang* AdvancedMaterials,2019,31(43):1904215 183.Phthalimide-based"D–N–A"emitterswiththermallyactivateddelayedfluorescenceandisomer-dependentroom-temperaturephosphorescenceproperties Zhang,Liang;Li,Meng;Hu,Tai-Ping;Wang,Yin-Feng;Shen,Yi-Fan;Yi,Yuan-Ping;Lu,Hai-Yan*;Gao,Qing-Yu*;Chen,Chuan-Feng* ChemicalCommunications,2019,55(81):12172-12175 182.NatureoftheLowestSingletandTripletExcitedStatesofOrganicThermallyActivatedDelayedFluorescenceEmitters:ASelf-ConsistentQuantumMechanics/EmbeddedChargeStudy Tu,Zeyi;Han,Guangchao;Hu,Taiping;Duan,Ruihong;Yi,Yuanping* ChemistryofMaterials,2019,31(17),6665-6671 181.Super-ExchangeInducedChargeTransportinOrganicDonor-AcceptorCocrystalsandCopolymers:ATheoreticalPerspective Geng,Hua;Zhu,Lingyun;Yi,Yuanping*;Zhu,Daoben;Shuai,Zhigang* ChemistryofMaterials,2019,31(17),6424-6434 180.AchievingSmallExcitonBindingEnergiesinSmallMoleculeAcceptorsforOrganicSolarCells:EffectofMolecularPacking Zhu,Lingyun;Tu,Zeyi;Yi,Yuanping*;Wei,Zhixiang* JournalofPhysicalChemistryLetters,2019,10(17):4888-4894 179.IdentificationofFeN4asanEfficientActiveSiteforElectrochemicalN2Reduction He,Chao#;Wu,Ze-Yuan#;Zhao,Lu;Ming,Mei;Zhang,Yun*;Yi,Yuanping;Hu,Jin-Song* ACSCatalysis,2019,9(8):7311-7317 178.OriginofPhotocurrentandVoltageLossesinOrganicSolarCells Han,Guangchao;Yi,Yuanping* AdvancedTheoryandSimulations,2019,2(8):1900067 177.Thermal-DrivenPhaseSeparationofDouble-CablePolymersEnablesEfficientSingle-ComponentOrganicSolarCells Feng,Guitao;Li,Junyu;He,Yakun;Zheng,Wenyu;Wang,Jing;Li,Cheng*;Tang,Zheng;Osvet,Andres;Li,Ning;Brabec,ChristophJ.;Yi,Yuanping;Yan,He;Li,Weiwei* Joule,2019,3(7):1765-1781 176.SynthesisandSupramolecularAssemblyofaTerryleneDiimideDerivativeDecoratedWithLongBranchedAlkylChains Guo,Zongxia*;Zhang,Xiao;Zhang,Lu;Wang,Yujiao;Feng,Weisheng;Sun,Kai;Yi,Yuanping;Li,Zhibo* FrontiersinChemistry,2019,7:473 175.Cyclohexyl-SubstitutedAnthraceneDerivativesforHighThermalStabilityOrganicSemiconductors Dong,Yicai;Guo,Yuan;Zhang,Hantang;Shi,Yanjun;Zhang,Jing;Li,Haiyang;Liu,Jie*;Lu,Xiuqiang;Yi,Yuanping;Li,Tao*;Hu,Wenping;Jiang,Lang* FrontiersinChemistry,2019,7:11 174.Impactofpolymorphismontheoptoelectronicpropertiesofalow-bandgapsemiconductingpolymer Li,Mengmeng;Balawi,AhmedHesham;Leenaers,PieterJ.;Ning,Lu;Heintges,GaëlH.L.;Marszalek,Tomasz;Pisula,Wojciech;Wienk,MartijnM.;Meskers,StefanC.J.;Yi,Yuanping;Laquai,Frédéric;Janssen,RenéA.J.* NatureCommunications,2019,10:2867 173.Sulfurvs.tellurium:theheteroatomeffectsonthenonfullereneacceptors Yang,Lei;Qin,Linqing;Xu,Yunxiao;Zhang,Huotian;Lv,Lei;Chen,Kepeng;Sui,Xinyu;Zhong,Yangguang;Guo,Yuan;Gao,Feng*;Zhao,Jianzhang;Li,Yuhao;Liu,Xinfeng*;Yi,Yuanping*;Lu,Xinhui;Peng,Aidong;Huang,Hui* ScienceChinaChemistry,2019,62(7):897-903 172.LocalExcitation/ChargeTransferHybridizationSimultaneouslyPromotesChargeGenerationandReducesNon-RadiativeVoltageLossinNon-FullereneOrganicSolarCells Han,Guangchao;Yi,Yuanping* JournalofPhysicalChemistryLetters,2019,10(11):2911-2918 171.Electronicandopticalpropertiesofπ-bridgedperylenediimidederivatives:theroleofπ-bridges Guo,Yuan;Han,Guangchao;Tu,Zeyi;Yi,Yuanping* JournalofMaterialsChemistryA,2019,7(20):12532-12537 170.SubstitutionConformationBalancestheOscillatorStrengthandSinglet–TripletEnergyGapforHighlyEfficientD–A–DThermallyActivatedDelayedFluorescenceEmitters Wei,Xiaofang;Li,Zhiyi;Hu,Taiping;Duan,Ruihong;Liu,Jianjun;Wang,Ruifang;Liu,Yanwei;Hu,Xiaoxiao;Yi,Yuanping*;Wang,Pengfei;Wang,Ying* AdvancedOpticalMaterials,2019,7(11):1801767 169.Solution-processedwhiteorganiclight-emittingdiodeswithbi-componentemittinglayerbasedonsymmetrybluespiro-sulfonederivative Wang,Ruifang;Liu,Yanwei;Hu,Taiping;Wei,Xiaofang;Liu,Jianjun;Li,Zhiyi;Hu,Xiaoxiao;Yi,Yuanping*;Wang,Pengfei;Wang,Ying* OrganicElectronics,2019,71:24-30 168.IntermolecularInteraction-InducedThermallyActivatedDelayedFluorescenceBasedonaThiochromoneDerivative Liu,Jianjun#;Hu,Taiping#;Li,Zhiyi;Wei,Xiaofang;Hu,Xiaoxiao;Gao,Honglei;Liu,Guanhao;Yi,Yuanping*;Yamada-Takamura,Yukiko;Lee,Chun-Sing;Wang,Pengfei;Wang,Ying* JournalofPhysicalChemistryLetters,2019,10(8):1888-1893 167.ExperimentalEvidencefor"HotExciton"ThermallyActivatedDelayedFluorescenceEmitters Liu,Jianjun;Li,Zhiyi;Hu,Taiping;Wei,Xiaofang;Wang,Ruifang;Hu,Xiaoxiao;Liu,Yanwei;Yi,Yuanping*;Yamada-Takamura,Yukiko;Wang,Ying*;Wang,Pengfei AdvancedOpticalMaterials,2019,7(4):1801190 166.Preparationandstructurestudyofphosphorus-dopedporousgraphdiyneanditsefficientlithiumstorageapplication Shen,Xiangyan;Li,Xiaodong;Zhao,Fuhua*;Wang,Ning*;Xie,Chipeng;He,Jianjiang;Si,Wenyan;Yi,Yuanping;Yang,Ze;Li,Xiaofang;Lu,Fushen;Huang,Changshui* 2DMaterials,2019,6(3):035020 165.OrganicSemiconductingAlloyswithTunableEnergyLevels Dou,Jin-hu;Yu,Zhi-Ao;Zhang,Jun;Zheng,Yu-Qing;Yao,Ze-Fan;Tu,Zeyi;Wang,Xinchang;Huang,Shiliang;Liu,Chengwen;Sun,Junliang;Yi,Yuanping;Cao,Xiaoyu;Gao,Yiqin;Wang,Jie-Yu;Pei,Jian* JournaloftheAmericanChemicalSociety,2019,141(16):6561-6568 164.Air-Stablen-TypeThermoelectricMaterialsEnabledbyOrganicDiradicaloids Yuan,Dafei;Guo,Yuan;Zeng,Yan;Fan,Qingrui;Wang,Jianjun;Yi,Yuanping;Zhu,Xiaozhang* AngewandteChemieInternationalEdition,2019,58(15):4958-4962 163.High-PerformanceAmbipolarPolymersBasedonElectron-WithdrawingGroupSubstitutedBay-AnnulatedIndigo Yang,Jie;Jiang,Yaqian;Tu,Zeyi;Zhao,Zhiyuan;Chen,Jinyang;Yi,Zhengran;Li,Yifan;Wang,Shuai*;Yi,Yuanping*;Guo,Yunlong*;Liu,Yunqi* AdvancedFunctionalMaterials,2019,29(7):1804839 162.ImprovingtheElectronMobilityofITICbyEnd-GroupModulation:TheRoleofFluorinationandπ-extension Han,Guangchao;Guo,Yuan;Ning,Lu;Yi,Yuanping* SolarRRL,2019,3(1):1800251 161.DirectSynthesisofCrystallineGraphdiyneAnalogueBasedonSupramolecularInteractions Zhou,Weixiang;Shen,Han;Wu,Chenyu;Tu,Zeyi;He,Feng;Gu,Yanan;Xue,Yurui;Zhao,Yingjie;Yi,Yuanping;Li,Yongjun*;Li,Yuliang JournaloftheAmericanChemicalSociety,2019,141(1):48-52 160.High-YieldandDamage-freeExfoliationofLayeredGraphdiyneinAqueousPhase Yan,Hailong;Yu,Ping*;Han,Guangchao;Zhang,Qinghua;Gu,Lin;Yi,Yuanping*;Liu,Huibiao;Li,Yuliang*;Mao,Lanqun* AngewandteChemieInternationalEdition,2019,58(3):746-750 159.Isomery‐DependentMiscibilityEnablesHigh‐PerformanceAll‐Small‐MoleculeSolarCells Wu,Hao;Fan,Haijun*;Xu,Shengjie;Ye,Long;Guo,Yuan;Yi,Yuanping;Ade,Harald;Zhu,Xiaozhang* Small,2019,15(1):1804271 158.Electronic,optical,andchargetransportpropertiesofA-π-Aelectronacceptorsfororganicsolarcells:Impactofanti-aromaticπstructures Zeng,Yan;Duan,Ruihong;Guo,Yuan;Han,Guangchao;Li,Qingxu*;Yi,Yuanping* ChineseChemicalLetters,2019,30(1):211-216 157.Impactofalkylchainbranchingpositionsonmolecularpackingandelectrontransportofdimericperylenediimidederivatives Guo,Yuan;Han,Guangchao;Yi,Yuanping* JournalofEnergyChemistry,2019,35:138-143 2018年发表论文 156.OriginofHighEfficienciesforThermallyActivatedDelayedFluorescenceOLEDs:AtomisticInsightintoMolecularOrientationandTorsionalDisorder Hu,Taiping;Han,Guangchao;Tu,Zeyi;Duan,Ruihong;Yi,Yuanping* JournalofPhysicalChemistryC,2018,122(48):27191-27197 155.HighlyConductingNeutralCoordinationPolymerwithInfiniteTwo-DimensionalSilver–SulfurNetworks Huang,Xing;Li,Haisheng;Tu,Zeyi;Liu,Liyao;Wu,Xiaoyu;Chen,Jie;Liang,Yingying;Zou,Ye;Yi,Yuanping;Sun,Junliang*;Xu,Wei*;Zhu,Daoben* JournaloftheAmericanChemicalSociety,2018,140(45):15153-15156 154.AtomisticInsightintoDonor/AcceptorInterfacesinHigh-efficiencyNonfullereneOrganicSolarCells Han,Guangchao;Guo,Yuan;Ma,Xiaoyi;Yi,Yuanping* SolarRRL,2018,2(11):1800190 153.RationalizingSmall-MoleculeDonorDesignTowardHigh-PerformanceOrganicSolarCells:PerspectivefromMolecularArchitectures Han,Guangchao;Yi,Yuanping* AdvancedTheoryandSimulations,2018,1(11):1800091 152.Fluoridegraphdiyneasfree-standingelectrodedisplayingultra-stableandextraordinaryhighListorageperformance He,Jianjiang;Wang,Ning;Yang,Ze;Shen,Xiangyan;Wang,Kun;Huang,Changshui*;Yi,Yuanping;Tu,Zeyi;Li,Yuliang* Energy&EnvironmentalScience,2018,11(10):2893-2903 151.FromMolecularPackingStructurestoElectronicProcesses:TheoreticalSimulationsforOrganicSolarCells Han,Guangchao;Yi,Yuanping*;Shuai,Zhigang* AdvancedEnergyMaterials,2018,8(28):1702743 150.ExcitonBindingEnergiesofNon-FullereneSmallMoleculeAcceptors:ImplicationforExcitonDissociationDrivingForcesinOrganicSolarCells Zhu,Lingyun*;Yi,Yuanping*;Wei,Zhixiang JournalofPhysicalChemistryC,2018,122(39):22309-22316 149.SuppressingChargeRecombinationinSmall-MoleculeTernaryOrganicSolarCellsbyModulatingDonor–AcceptorInterfacialArrangements Wang,Zhen#;Han,Guangchao#;Zhu,Lingyun*;Guo,Yuan;Yi,Yuanping*;Shuai,Zhigang;Wei,Zhixiang PhysicalChemistryChemicalPhysics,2018,20(38):24570-24576(selectedas2018PCCPHOTArticle) 148.EffectofFunctionalGroupPositionChangeofPyridinesulfonicAcidasInterface-ModifiedLayeronPerovskiteSolarCell Han,Fei;Tu,Zeyi;Wan,Zhongquan;Luo,Junsheng;Xia,Jianxing;Hao,Guimin;Yi,Yuanping;Wang,Ruilin;Jia,Chunyang* AppliedSurfaceScience,2018,462:517-525 147.SpectroscopicStudyofChargeTransportatOrganicSolid-waterInterface Zhang,Yu;Han,Guangchao;Qin,Minchao;Shen,Yujie;Lu,Xinhui;Yi,Yuanping;Zhao,Ni* ChemistryofMaterials,2018,30(15):5422-5428 146.CopolymersofBis-DiketopyrrolopyrroleandBenzothiadiazoleDerivativesforHigh-PerformanceAmbipolarField-EffectTransistorsonFlexibleSubstrates Chen,Jinyang#;Jiang,Yingying#;Yang,Jie#;Sun,Yunlong;Shi,Longxian;Ran,Yang;Zhang,Qingsong;Yi,Yuanping;Wang,Shuai;Guo,Yunlong*;Liu,Yunqi* ACSAppliedMaterials&Interfaces,2018,10(31):25858-25865 145.Bottom-upgrowthofn-typemonolayermolecularcrystalsonpolymericsubstrateforoptoelectronicdeviceapplications Shi,Yanjun;Jiang,Lang*;Liu,Jie;Tu,Zeyi;Hu,Yuanyuan;Wu,Qinghe;Yi,Yuanping;Gann,Eliot;McNeill,ChristopherR.;Li,Hongxiang;Hu,Wenping*;Zhu,Daoben;Sirringhaus,Henning* NatureCommunications,2018,9:2933 144.Boostingtheelectronmobilitiesofdimericperylenediimidesbysimultaneouslyenhancingintermolecularandintramolecularelectronicinteractions Guo,Yuan;Han,Guangchao;Duan,Ruihong;Geng,Hua;Yi,Yuanping* JournalofMaterialsChemistryA,2018,6(29):14224-14230(selectedas2018JournalofMaterialsChemistryAHOTPaper) 143.EffectofDonorLengthontheElectronicStructuresandChargeTransportPolarityforDTDPP-basedD-ACopolymers:aComputationalStudyBasedonSuper-ExchangeModel He,feifei;Cheng,Changli;Geng,Hua*;Yi,Yuanping;Shuai,Zhigang* JournalofMaterialsChemistryA,2018,6(25):11985-11993 142.OptimizedFibrilNetworkMorphologybyPreciseSide‐ChainEngineeringtoAchieveHigh‐PerformanceBulk‐HeterojunctionOrganicSolarCells Liu,Tao;Huo,Lijun;Chandrabose,Sreelakshmi;Chen,Kai;Han,Guangchao;Qi,Feng;Meng,Xiangyi;Xie,Dongjun;Ma,Wei;Yi,Yuanping;HodgkissJustin,M.;Liu,Feng;Wang,Jing;Yang,Chuluo;Sun,Yanming* AdvancedMaterials,2018,30(26):1707353 141.Anonfullereneacceptorutilizinganovelasymmetricmultifused-ringcoreunitforhighlyefficientorganicsolarcells Li,Chao;Xie,Yuanpeng;Fan,Bingbing;Han,Guangchao;Yi,Yuanping*;Sun,Yanming* JournalofMaterialsChemistryC,2018,6(18):4873-4877 140.ChargeMobilityEnhancementforConjugatedDPP-selenophenePolymerbySimplyReplacingOneBulkyBranchingAlkylChainwithLinearOneatEachDPPUnit Wang,Zhijie;Liu,Zitong*;Ning,Lu;Xiao,Mingfei;Yi,Yuanping;Cai,Zhengxu;Sadhanala,Aditya;Zhang,Guanxin;Chen,Wei;Sirringhaus,Henning;Zhang,Deqing* ChemistryofMaterials,2018,30(9):3090-3100 139.RegulationofExcitationTransitionsbyMolecularDesignEndowingFull-Color-TunableEmissionswithUnexpectedHighQuantumYieldsforBioimagingApplication Liu,Feng;Li,Shengliang;Duan,Ruihong;Qiu,Shuhai;Yi,Yuanping*;Wang,Shu*;Zhu,Xiaozhang* ScienceChinaChemistry,2018,61(4):418-426 138.Anchoringzerovalencesingleatomsofnickelandironongraphdiyneforhydrogenevolution Xue,Yurui;Huang,Bolong;Yi,Yuanping;Guo,Yuan;Zuo,Zicheng;Li,Yongjun;Jia,Zhiyu;Liu,Huibiao;Li,Yuliang* NatureCommunications,2018,9:1460 137.MOlecularMAterialsPropertyPredictionPackage(MOMAP)1.0:asoftwarepackageforpredictingtheluminescentpropertiesandmobilityoforganicfunctionalmaterials Niu,Yingli#;Li,Wenqiang#;Peng,Qian*;Geng,Hua;Yi,Yuanping;Wang,Linjun;Nan,Guangjun;Wang,Dong;Shuai,Zhigang* MolecularPhysics,2018,116(7-8):1078-1090 136.Synthesis,ElectronicStructureofBoron-GraphdiynewithspCarbonSkeletonandItsApplicationinSodiumStorage Wang,Ning#;Li,Xiaodong#;Tu,Zeyi#;Zhao,Fuhua;He,Jianjiang;Guan,Zhaoyong;Huang,Changshui*;Yi,Yuanping;Li,Yuliang* AngewandteChemieInternationalEdition,2018,57(15):3968-3973 135.Highlyefficientwhitelight-emittingdiodeswithabi-componentemittinglayerbasedonblueandyellowthermallyactivateddelayedfluorescenceemitters 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