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| 1 | 一种简便测定有机电致发光材料能级的电化学方法显示文摘有机电致发光材料能带的准确测定对于有机电致发光器件研究至关重要。电化学方法(如循环伏安法)是表征有机材料的HOMO能级的简单而被广泛采用的方法。通常所用循环伏安法存在用料多、数值确定不明显等方面的缺点,因此我们改进了上述方法,将待测定材料在工作电极上成膜,采用线性扫描伏安法直接测定氧化电流起峰位置而得到其HOMO能级。再结合光谱数据就可以计算出材料的LUMO能级。研究表明该方法用料量少、快速、简便。 | 丁邦东 张积梅 朱文清 郑新友 吴有智 蒋雪茵 张志林 许少鸿 | 2003 | 发光学报2003，24，6： | 20 |
| 2 | 脂肪胺、醇HOMO能级与质子亲和能关系显示文摘 | 李宝宗 | 2002 | 分子科学学报2002，18，2： | 13 |
| 3 | 咔唑衍生物能带结构的电化学方法研究显示文摘有机电致发光材料能带结构的表征对于材料的优化选择和有机电致发光器件的研究非常重要。循环伏安法具有简单、操作方便的特点,被广泛地用于表征有机材料的能带结构。用循环伏安法研究了一系列咔唑衍生物的最高占有分子轨道(HOMO)能级。实验结果表明:给电子基团有利于提高咔唑衍生物的空穴传输能力;吸电子基团则会降低该类材料的空穴传输能力;而具有共轭作用的取代基的衍生物则可以作为空穴阻挡材料。这对咔唑衍生物的设计合成具有指导意义。 | 宋继国 刘旭峰 周翔 沈培康 | 2005 | 发光学报2005，26，1： | 10 |
| 4 | Side-chain engineering of high-efficiency conjugated polymer photovoltaic materials显示文摘In recent years,conjugated polymers have attracted great attention in the application as photovoltaic donor materials in polymer solar cells(PSCs).Broad absorption,lower-energy bandgap,higher hole mobility,relatively lower HOMO energy levels,and higher solubility are important for the conjugated polymer donor materials to achieve high photovoltaic performance.Side-chain engineering plays a very important role in optimizing the physicochemical properties of the conjugated polymers.In this article,we review recent progress on the side-chain engineering of conjugated polymer donor materials,including the optimization of flexible side-chains for balancing solubility and intermolecular packing(aggregation),electron-withdrawing substituents for lowering HOMO energy levels,and two-dimension(2D)-conjugated polymers with conjugated side-chains for broadening absorption and enhancing hole mobility.After the molecular structural optimization by side-chain engineering,the2D-conjugated polymers based on benzodithiophene units demonstrated the best photovoltaic performance,with powerconversion efficiency higher than 9%. | Zhi-Guo Zhang Yongfang Li | 2015 | Science China Chemistry2015，58，2： | 8 |
| 5 | 快速简便测定有机电致发光材料HOMO能级的电化学方法显示文摘It is very important to obtain an accurate determination of HOMO energy level of organic electroluminescent material.Usually cyclic voltammetry is used to determine it.In this paper,linear scanning voltammetry was instead utilized to attain a reault of oxidation potential(or HOMO energy level) due to the film of organic electroluminescent material on the working electrode.Less amount of materials was consumed in this method.The proposed method was faster and more convenient. | 丁邦东 张积梅 朱文清 郑新友 吴有智 蒋雪茵 张志林 许少鸿 | 2002 | 化学研究与应用2002，14，6： | 6 |
| 6 | 空穴传输材料三芳胺衍生物的合成及性质研究显示文摘以二芳胺和芳碘体系为原料,经乌尔曼反应制备了一系列三芳胺衍生物,经NMR,IR,MS等表征了其结构,通过示差扫描量热法(DSC)测定了其玻璃化转变温度,并利用循环伏安法结合紫外可见光谱测定了其HOMO能级和LUMO能级. | 王延广 欧加保 徐强国 吴琳 | 2006 | 有机化学2006，26，7： | 4 |
| 7 | 苝四羧酸铈在TiO_2纳米晶膜上的光电转化性质显示文摘报道了Ce3+和Ce4+两种金属离子桥联苝四羧酸在二氧化钛纳米晶电极上自组装膜的制备,并利用紫外可见光谱、红外光谱、光电子能谱等手段对自组装膜进行了表征. 通过同步辐射光电子能谱确定了自组装膜的HOMO能级. 基于自组装膜敏化二氧化钛纳米晶电极的薄层三明治型太阳能电池具有较好的光电转化性质. 在480 nm, 苝四羧酸敏化二氧化钛电极产生了26.9%的入射单色光子-电子转化效率(IPCE), 而由Ce4+离子或Ce3+离子桥联所形成的自组装膜分别产生了55.8%和39.1%的IPCE. 金属离子桥联苝四羧酸自组装膜相当于一种配合物, 其HOMO能级比苝四羧酸自组装膜的高, 这是形成铈离子桥联苝四羧酸后IPCE提高的一个主要原因. | 黄春辉 李富友 杨术明 翁诗甫 付小艺 吴念祖 奎热西 刘凤琴 钱海杰 | 2001 | 中国科学(B辑)2001，31，2： | 4 |
| 8 | 氧芴三苯胺多枝分子的双光子吸收与电化学行为显示文摘研究了3个氧芴/三苯胺衍生物:E-2,8-双(4-二苯胺基苯乙烯基)氧芴(简称OT-G1)、E-2,8-双[4-(二苯基氨基-二苯乙烯基)(4′-溴苯基)氨基-苯乙烯基]氧芴(简称OT-G1.5)和E-2,8-双-[4′,4″-二-(二苯胺基苯乙烯基)-4-二苯胺基苯乙烯基]氧芴(简称OT-G2)的双光子吸收和电化学行为.研究结果表明,分子'代数'从1→1.5→2增高,氧芴三苯胺多枝分子的HOMO能级升高、双光子荧光强度和双光子吸收截面明显增大.由于HOMO能级的升高有利于分子的电荷转移,因而分子表现出强的双光子吸收能力,这表明可通过电化学行为来推断出分子的双光子吸收性能. | 张唯舟 王筱梅 方香云 蒋宛莉 赵俊芳 | 2008 | 高等学校化学学报2008，29，8： | 3 |
| 9 | Electroluminescence performances of 1,1-bis(4-(N,N-dimethylamino)phenyl)-2,3,4,5-tetraphenylsilole based polymers in three cathode architectures显示文摘A new silole monomer with two 4-(N,N-dimethylamino)phenyl substitutions on silicon atom as designed and synthesized.Three copolymers PF-N-HPS1,PF-N-HPS10 and PF-N-HPS20 were then obtained by copolymerizations of 2,7-fluorene derivatives with the silole monomer at feed ratios of 1%,10%,and 20%.Their UV-vis absorption,electrochemical,photoluminescent,and electroluminescent (EL) properties were investigated.PF-N-HPS possessed HOMO levels of 5.25-5.58 eV,and showed green emissions.Using PF-N-HPS as the emissive layer,three different polymer light-emitting diodes were fabricated as device A with ITO/PEDOT/PF-N-HPS/Al,device B with ITO/PEDOT/PF-N-HPS/Ba/Al,and device C with ITO/PEDOT/PF-N-HPS/TPBI/Ba/Al.For the device A,PF-N-HPS only showed very low EL efficiency of 0.06-0.33 cd/A,indicating that the Al cathode could not inject electron efficiently to the emissive polymers containing the 4-(N,N-dimethylamino)phenyl groups.For the device B,low work function Ba supplied better electron injections,and the EL efficiency could be improved to 0.85-1.44 cd/A.TPBI with a deep HOMO level of 6.2 eV could enhance electron transport and hole blocking.Thus modified recombinations and largely elevated EL efficiency of 4.56-7.96 cd/A were achieved for the device C.The separation of the emissive layer and metal cathode with the TPBI layer may also suppress exciton quenching at the cathode interface. | LIU ZhiTian HU SuJun ZHANG LinHua CHEN JunWu PENG JunBiao CAO Yong | 2013 | Science China Chemistry2013，56，8： | 2 |
| 10 | 基于Firpic发光的高效率蓝色有机发光器件显示文摘为了充分利用发光层中主客体间的能量转移和空穴阻挡层(HBL)的空穴阻挡作用,制作了结构为ITO/m-MTDATA(25 nm)/NPB(15 nm)/Ir(ppz)3(10 nm)/Simcp:Firpic(30 nm,6%)/HBL(35 nm)/LiF(1 nm)/Al(200 nm)的高效率蓝光器件,研究了3种类型的HBL对蓝光器件电流效率的影响。结果表明,HOMO能级较低的BCP是性能最好的空穴阻挡材料,以其为HBL,当厚度为35 nm时,8 V电压下器件的最大电流效率达到14.57 cd/A。 | 王广德 刘铁功 张刚 赵雷 姜文龙 李同 张天瑜 谢文法 | 2011 | 光电子.激光2011，22，9： | 1 |
| 11 | Effect of furan π-bridge on the photovoltaic performance of D-A copolymers based on bi(alkylthio-thienyl)benzodithiophene and fluorobenzotriazole显示文摘The medium band gap donor-acceptor(D-A) copolymer J61 based on bi(alkylthio-thienyl)benzodithiophene as donor unit and fluorobenzotriazole as acceptor unit and thiophene as π-bridge has demonstrated excellent photovoltaic performance as donor material in nonfullerene polymer solar cells(PSCs) with narrow bandgap n-type organic semiconductor ITIC as acceptor.For studying the effect of π-bridges on the photovoltaic performance of the D-A copolymers,here we synthesized a new D-A copolymer J61-F based on the same donor and acceptor units as J61 but with furan π-bridges instead of thiophene.J61-F possesses a deeper the highest occupied molecular orbital(HOMO) level at-5.45 eV in comparison with that(-5.32 eV) of J61.The non-fullerene PSCs based on J61-F:ITIC exhibited a maximum power conversion efficiency(PCE) of 8.24%with a higher open-circuit voltage(V_(oc)) of 0.95 V,which is benefitted from the lower-lying HOMO energy level of J61-F donor material.The results indicate that main chain engineering by changing π-bridges is another effective way to tune the electronic energy levels of the conjugated D-A copolymers for the application as donor materials in non-fullerene PSCs. | Tinghai Yan Haijun Bin Yankang Yang Lingwei Xue Zhi-Guo Zhang Yongfang Li | 2017 | Science China Chemistry2017，60，4： | 1 |
| 12 | A Novel Thiophene Derivative-based Conjugated Polymer for Polymer Solar Cells with High Open-circuit Voltage显示文摘 | 谌烈 沈星星 陈义旺 | 2012 | Chinese Journal of Chemistry2012，30，9： | 1 |
| 13 | Fine-tuning of Polymer Photovoltaic Properties by the Length of Alkyl Side Chains显示文摘This paper reports the synthesis and characteristics of a series of alkyl-substituted planar polymers. The physical properties are carefully tuned to optimize their photovoltaic performance. Depending on the length of soluble alkyl side chains which modify the structural order and orientation substantially in polymer backbones, the device performance can be improved significantly. The tuning of HOMO energy levels optimized polymers' spectral coverage of absorption and their hole mobility, as well as miscibility with fullerene; all these efforts enhanced polymer solar cell performances. The shortcircuit current, Jsc for polymer solar cells was increased by adjusting polymer chain packing ability. It was found that films with well distributed polymer/fullerene interpenetrating network exhibit improved solar cell conversion efficiency. Enhanced efficiency up to 5.8% has been demonstrated. The results provide important insights about the roles of flexile chains in structure-property relationship for the design of new polymers to be used in high efficient solar cells. | 秦瑞平 Yu-rong Jiang Hao-xing Zhang Kai-xuan Zhang Qun-ying Zhang 常方高 | 2015 | Chinese Journal of Polymer Science2015，33，3： | 1 |
| 14 | Cyclopenta-fused perylene: a new soluble, stable and functionalizable rylene building block显示文摘We report a facile synthesis of a [1,12-b,c,d]-cyclopenta-fused perylene 5 from the parent perylene via a formylation-oxidative esterification–nucleophilic additionfollowed-by-Friedel–Crafts alkylation strategy. Compared with the perylene, dye 5 exhibits much higher solubility,smaller energy gap, and can undergo regio-selective bromination at the peri-positions. Compared with the Nannulated perylene 8, compound 5 shows lower HOMO energy level and is more stable in air. Therefore, 5 can be regarded a new versatile building block for the development of high-order soluble and stable rylenes and various perylene-based functional materials. | Wangdong Zeng Qingbiao Qi Jishan Wu | 2015 | Science Bulletin2015，60，14： | 0 |
| 15 | A-π-D-π-A Type Small Molecules Using Ethynylene Linkages for Organic Solar Cells with High Open-circuit Voltages显示文摘在一个结合的分子介绍 ethynylene 连接能加深 HOMO 水平,减少位的限制并且更好去除 π
电子等等,它为器官的太阳能电池是有益的。而且,由 Sonogashira 反应介绍乙炔连接的典型方法能避免有毒的 stannyl 的用法中介和潜在地危险的 lithiation 反应。在这研究,二简单小分子 BEDPP 和 NEDPP 被设计并且综合,在哪个分别地,二个 diketopyrrolopyrrole 单位相称性地经由乙炔连接被连接到苯和萘核心。并且 BHJ (体积异质接面) 太阳能电池基于没有使用溶剂添加剂并且没有为活跃的层处理以后的任何东西的 BEDPP 和 NEDPP 提供我们有直到 0.90 和 0.98 V 的显著地高的开的电路电压的 1.48% 和 2.31% 的电源变换效率分别地。 | Ke Gao Liangang Xiao Yuanyuan Kan Lisheng Li Yajing Yan Huadong Huang Junbiao Peng Yong cao Xiaobin Peng | 2016 | Chinese Journal of Chemistry2016，34，4： | 0 |
| 16 | Enhanced open-circuit voltage in methoxyl substituted benzodithiophene-based polymer solar cells显示文摘The open-circuit voltage(V_(oc))is one of the important parameters that influence the power conversion efficiency(PCE)of polymer solar cells.Its value is mainly determined by the energy level offset between the highest occupied molecular orbital(HOMO)of the donor and the lowest unoccupied molecular orbital(LUMO)of the acceptor.Therefore,decreasing the HOMO value of the polymer could lead to a high V_(oc)and thus increasing the cell efficiency.Here we report a facile way to lower the polymer HOMO energy level by using methoxyl substituted-benzodithiophene(BDT)unit.The polymer with the methoxyl functionl group(POBDT(S)-T1)exhibited a HOMO value of-5.65 eV,which is deeper than that(-5.52 eV)of polymer without methoxyl unit(PBDT(S)-T1).As a result,POBDT(S)-T1-based solar cells show a high V_(oc)of 0.98 V and PCE of 9.2%.In contrast,PBDT(S)-T1-based devices show a relatively lower V_(oc)of 0.89 V and a moderate PCE of 7.4%.The results suggest that the involvement of methoxyl group into conjugated copolymers can efficiencly lower their HOMO energy levels. | Xiaonan Xue Yao Liu Xiangyi Meng Xiaobo Sun Lijun Huo Wei Ma Yanming Sun | 2017 | Science China Chemistry2017，60，2： | 0 |
| 17 | 9位芘和长链烷氧基苯取代的三联芴显示文摘采用Suzuki偶联反应制备了9位芘和长链烷氧基苯取代的三联芴ATF。热分析结果显示ATF具有良好的热稳定性,其热分解温度为430℃,玻璃化转变温度高达155℃。芘在芴9位的非共轭取代并没有改变共轭三联芴的高效率蓝光发射特点,但ATF的HOMO能级得以明显提高,这意味着空穴注入性能有明显的提高。ATF既可以采用真空蒸镀,又可以采用溶液旋涂的方法制备电致发光器件,旋涂器件(ITO/PEDOT∶PSS(40nm)/ATF(100nm)/Ba/Al)的启动电压为7V,最大外量子效率为0.62。 | 唐超 陈淑芬 凌启淡 | 2008 | 南京邮电大学学报(自然科学版)2008，28，1： | 0 |
| 18 | Synthesis and characterization of carbazole-based dendrimers as bipolar host materials for green phosphorescent organic light emitting diodes显示文摘A group of novel, carbazole-based dendrimers comprised of the electron-accepting dibenzothiophene core and the electron-donating oligo-carbazole dendrons, namely G1 SF and G2 SF, are synthesized utilizing the Ullmann C–N coupling reaction. The dendrimers are designed in such a way to show good solubility in common organic solvents, excellent thermochemical stability with decomposition temperatures(Td) up to430 8C, and high HOMO levels in a range from 5.45 e V to 5.37 e V. Results of density functional theory calculations(DFT) indicate G2 SF has an almost complete separation of HOMO and LUMO levels at the holeand electron-transporting moieties; while G1 SF exhibits only partial separation of the HOMO and LUMO levels possibly due to intramolecular charge transfer. Green phosphorescent OLEDs were fabricated by the spin coating method with the dendrimers as hosts and traditional green iridium phosphor as doped emitter. Under ambient conditions, a maximum luminance efficiency(hL) of 19.83 cd A^-(1)and a maximum external quantum efficiency of 5.85% are achieved for G1 SF, and 15.50 cd A (-1)and 4.57% for G2 SF. | Ting Zhang Dong-Qing Xu Jun-Ming Chen Ping Zhang Xu-Chun Wang | 2016 | Chinese Chemical Letters2016，27，3： | 0 |
| 19 | Dithienocarbazole- and benzothiadiazole-based donor-acceptor conjugated polymers for bulk heterojunction polymer solar cells显示文摘Donor-acceptor(D-A)-conjugated polymers P(BT-C1)and P(BT-C2),with dithieno[2,3-b;7,6-b]carbazole(C1)or dithieno[3,2-b;6,7-b]carbazole(C2)as D-unit and benzothiadiazole(BT)as A-unit,were synthesized.The optical bandgaps of the polymers are similar(1.84 and 1.88 e V,respectively).The structures of donor units noticeably influence the energy levels and backbone curvature of the polymers.P(BT-C1)shows a large backbone curvature;its highest occupied molecular orbital(HOMO)energy level is 5.18 e V,whereas P(BT-C2)displays a pseudo-straight backbone and has a HOMO energy level of 5.37 e V.The hole mobilities of the polymers without thermal annealing are 1.9×10 3 and 2.7×10 3 cm2 V 1 s 1 for P(BT-C1)and P(BT-C2),respectively,as measured by organic thin-film transistors(OTFTs).Polymer solar cells using P(BT-C1)and P(BT-C2)as the donor and phenyl-C71-butyric acid methyl ester(PC71BM)as the acceptor were fabricated.Power conversion efficiencies(PCEs)of 4.9%and 5.0%were achieved for P(BT-C1)and P(BT-C2),respectively.The devices based on P(BT-C2)exhibited a higher Voc due to the deeper HOMO level of the polymer,which led to a slightly higher PCE. | Ziqing Rong Yunfeng Deng Zhiyuan Xie Yanhou Geng Fosong Wang | 2015 | Science China Chemistry2015，58，2： | 0 |
| 20 | 周环反应立体选择规则的简易判断方法显示文摘周环反应不同于一般类型的化学反应,这类反应不受溶剂极性的影响,也不受酸、碱催化剂或引发剂的影响,反应是借助于热或光将能量传递给反应物而发生的.在整个反应历程中,不产生离子或自由基中间体,反应中旧键和新键的轨道形成一个环状过渡态,然后同时发生旧键的破裂和新键的形成.周环反应包括:电环化反应、环加成反应、σ键迁移反应等.Woodward-Hoffmann在1965年创立了周环反应的立体选择规则,一般教科书都以π电子数和反应条件的关系来表示其立体选择规则.例如:电环化反应选择规则是:环加成反应选择规则是:在长期教学过程中,发现学生不易直接看出其中的关系,因而只是死记硬背,机械记忆.本文以π电子数与前线轨道(FMO)的HOMO(最高占有轨道)、LUMO(最低空轨道)的能量及对称性和反应条件三者的关系中得出一种较为直观的表示方法,易于判断和掌握. | 王如定 | 1997 | 浙江海洋学院学报(人文科学版)1997，0，1： | 0 |
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