Self-assembled molecules(SAMs)have shown great potential in replacing bulk charge selective contact layers in high-performance perovskite solar cells(PSCs)due to their low material consumption and sim-ple processing.Herein,we design and synthesize a series of donor-acceptor(D-A)type SAMs(MPA-BT-CA,MPA-BT-BA,and MPA-BT-RA,where MPA is 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;BT is benzo[c][1,2,5]-thiadiazole;CA is 2-cyanoacrylic acid,BA is benzoic acid,RA is rhodanine-3-propionic acid)with distinct anchoring groups,which show dramatically different properties.MPA-BT-CA with CA anchoring groups exhibited stronger dipole moments and formed a homogeneous monolayer on the indium tin oxide(ITO)surface by adopting an upstanding self-assembling mode.However,the MPA-BT-RA molecules tend to aggregate severely in solid state due to the sp3 hybridization of the carbon atom on the RA group,which is not favorable for achieving a long-range ordered self-assembled layer.Consequently,benefiting from high dipole moment,as well as dense and uniform self-assembled film,the device based on MPA-BT-CA yielded a remarkable power conversion efficiency(PCE)of 21.81％.Encouragingly,an impressive PCE approaching 20％can still be obtained for the MPA-BT-CA-based PSCs as the device area is increased to 0.80 cm2.Our work sheds light on the design principles for devel-oping hole selecting SAMs,which will pave a way for realizing highly efficient,flexible,and large-area PSCs.

Qiaogan Liao;Yang Wang;Zilong Zhang;Kun Yang;Yongqiang Shi;Kui Feng;Bolin Li;Jiachen Huang;Peng Gao;Xugang Guo

Department of Materials Science and Engineering,Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices,Southern University of Science and Technology(SUSTech),Shenzhen 518055,Guangdong,China;College of Materials,Fujian Key Laboratory of Advanced Materials,Xiamen University,Xiamen 361005,Fujian,China;CAS Key Laboratory of Design and Assembly of Functional Nanostructures,Fujian Provincial Key Laboratory of Nanomaterials,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou 350002,Fujian,China

能源化学

[1]Qiaogan Liao;Yang Wang;Zilong Zhang;Kun Yang;Yongqiang Shi;Kui Feng;Bolin Li;Jiachen Huang;Peng Gao;Xugang Guo-.Self-assembled donor-acceptor hole contacts for inverted perovskite solar cells with an efficiency approaching 22％:The impact of anchoring groups)[J].能源化学,2022(05):87-95

phenylaniline,thiadiazole,cyanoacrylic,rhodanine,upstanding

Self,assembled,donor,acceptor,hole,contacts,inverted,perovskite,solar,cells,efficiency,approaching,impact,anchoring,groups,molecules,SAMs,have,shown,great,potential,replacing,bulk,charge,selective,layers,performance,PSCs,due,their,low,material,consumption,sim,processing,Herein,design,synthesize,series,type,MPA,BT,CA,BA,RA,where,methoxyphenyl,acid,benzoic,propionic,distinct,which,dramatically,different,properties,exhibited,stronger,dipole,moments,formed,homogeneous,monolayer,indium,oxide,ITO,surface,by,adopting,self,assembling,mode,However,tend,aggregate,severely,solid,state,sp3,hybridization,carbon,atom,not,favorable,achieving,long,range,ordered,Consequently,benefiting,from,well,dense,uniform,film,device,yielded,remarkable,power,conversion,PCE,Encouragingly,impressive,can,still,obtained,area,increased,Our,work,sheds,light,principles,devel,oping,selecting,will,pave,way,realizing,highly,efficient,flexible,large

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