F8BT：P3HT共混薄膜的放大自发辐射

研究了聚合物poly（9,9-dioctylfluorene-co-benzothiadiazole）（F8BT）和poly （3-hexylthiophene）（P3HT）共混薄膜的放大自发辐射（ASE）现象,对影响其阈值的两个因素--增益和损耗进行了详细的研究。结果显示,共混聚合物的发光效率随着P3HT所占比例的增加有所降低。当P3HT比例低于20%时,发光效率降低不多,而其损耗则随着P3HT的增加显著减小。F8BT和P3HT混合后,光损耗系数从7.8 cm^-1下降到4 cm^-1左右。这表明F8BT：P3HT共混聚合物光波导的ASE阈值降低主要是由于其损耗的降低而导致的。ASE阈值的降低预示该材料体系容易实现电泵浦激光。     

P3HT/PMMA双层聚合物电双稳器件的研究

通过逐层旋涂的方法,制备了P3HT(poly(3-hexylthiophene))与PMMA(poly(methylmethacrylate))双层器件,并与二者的共混溶液制备的器件进行了性能对比。利用扫描电镜(SEM)表征了双层器件的横截面形貌;利用电流-电压(I-V)以及电流-读取次数(I-t)测试,测量了两种器件的开关比以及持续时间特性。其中,双层器件具有更好的开关比,可达1×10~3,同时反复读写测试表明器件性能非常稳定。为了解释电双稳现象产生的机理,对双层结构器件的电流-电压曲线进行了线性拟合,利用器件的能级图进行分析,得出了电荷在器件中的传输过程。研究结果表明,可以通过电荷俘获释放理论解释P3HT/PMMA双层器件电双稳特性产生的机理。     

Effects of acetone-soaking treatment on the performance of polymer solar cells based on P3HT/PCBM bulk heterojunction

The improvement of the acetone-soaking treatment to the performance of polymer solar cells based on the P3HT/PCBM bulk heterojunction is reported. Undergoing acetone-soaking, the PCBM does not distribute uniformly in the vertical direction, a PCBM enrichment layer forms on the top of the active layer, which is beneficial to the collec- tion of the carriers and blocking the inverting diffusion carriers. X-ray photoelectron spectroscopy （XPS） analysis reveals that the PCBM weight ratio on the top of the active layer increases by 20% after the acetone-soaking treatment. Due to the nonuniform distribution of PCBM, the short-circuit current density, the open-circuit voltage, and the fill factor are enhanced significantly. Finally, the power conversion efficiency of the acetone-soaking device increases by 31% compared with the control device.     

丙烷与O(3P)反应机理和动力学的理论研究

The reaction of C₃H₈+O(³P)→C₃H₇+OH is investigated using ab initio calculation and dynamical methods. Electronic structure calculations for all stationary points are obtained using a dual-level strategy. The geometry optimization is performed using the unrestricted second-order Møller-Plesset perturbation method and the single-point energy is computed using the coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations method. Results indicate that the main reaction channel is C₃H₈+O(³P)→i-C₃H₇+OH. Based upon the ab initio data, thermal rate constants are calculated using the variational transition state theory method with the temperature ranging from 298 K to 1000 K. These calculated rate constants are in better agreement with experiments than those reported in previous theoretical studies, and the branching ratios of the reaction are also calculated in the present work. Furthermore, the isotope effects of the title reaction are calculated and discussed. The present work reveals the reaction mechanism of hydrogen-abstraction from propane involving reaction channel competitions is helpful for the under-standing of propane combustion.     

MEH-PPV/PEG聚合物电双稳器件的研究

将PEG(聚乙二醇)引入到ITO/MEH-PPV(聚(2-甲氧基,5(2'-乙基己氧基)-1,4-苯撑乙烯撑)/Al三明治器件中,实现了很好的电双稳性能。通过改变PEG的分子量、浓度以及退火温度等条件,对器件性能进行了优化。通过电流-电压(I-V)测试研究了不同器件的性能,结果表明,分子量为4 000的PEG,在30 mg/mL的浓度下,通过120℃退火制备的薄膜,其器件性能最优,电流开关比可以达到10~3以上。利用SEM测试研究了活性层的膜形貌,并结合电流-电压(I-V)曲线的线性拟合,分析了电荷在器件中的传输过程。研究发现,相分离产生的陷阱对电荷的俘获是该器件产生电双稳特性的主要原因。     

基于MEH-PPV/Ir(ppy)_3聚合物电双稳器件

通过逐层旋涂的方法,利用MEH-PPV(Poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene]与Ir(ppy)_3(tris(2-phenylpyridine)iridium(Ⅲ))),制备活性层,实现了高性能的电双稳器件。通过改变MEHPPV的浓度,制备了不同器件并进行性能比较,发现所有器件都具有明显的电双稳特性。当MEH-PPV的浓度达到4 mg/mL时,器件的开关比可以达10~3。同时,通过测试器件的电流-循环次数研究了器件的持续稳定特性。经过10~4次的反复读写测试,器件性能依然稳定。最后,通过对器件的Ⅰ-Ⅴ曲线进行线性拟合,并结合器件的能级图,对器件的工作原理进行了研究。结果表明,MEH-PPV/Ir(ppy)_3器件的电双稳特性产生的主要原因是偶极层的形成与破坏。     

Sodium chloride methanol solution spin-coating process for bulk-heterojunction polymer solar cells

The sodium chloride methanol solution process is conducted on the conventional poly(3-hexylthiophene)(P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester(PC_(61)BM) polymer bulk heterojunction solar cells. The device exhibits a power conversion efficiency of up to 3.36%, 18% higher than that of the device without the solution process. The measurements of the active layer by x-ray photoelectron spectroscopy(XPS), atomic force microscopy(AFM), and ultraviolet photoelectron spectroscopy(UPS) indicate a slight phase separation in the vertical direction and a sodium chloride distributed island-like interface between the active layer and the cathode. The capacitance–voltage(C–V) and impedance spectroscopy measurements prove that the sodium chloride methanol process can reduce the electron injection barrier and improve the interfacial contact of polymer solar cells. Therefore, this one-step solution process not only optimizes the phase separation in the active layers but also forms a cathode buffer layer, which can enhance the generation, transport, and collection of photogenerated charge carriers in the device simultaneously. This work indicates that the inexpensive and non-toxic sodium chloride methanol solution process is an efficient one-step method for the low cost manufacturing of polymer solar cells.     

MA0.6Cs0.4PbBr3钙钛矿发光二极管瞬态电致发光研究

为研究钙钛矿材料的发光特性和机理,制备了稳定的MA_(0.6)Cs_(0.4)Pb Br_3钙钛矿发光二极管,通过瞬态电致发光测试,分析了器件在脉冲电压下的电流和发光曲线。MA_(0.6)Cs_(0.4)Pb Br_3发光二极管在恒定的电流密度10 m A·cm~(-2)下,亮度从最大值衰减至一半持续时间超过30 min,保证了瞬态测试的准确性。在0.1～20 ms脉宽测试中,器件发光效率随时间增加,断电后有反向电流;在5.5～8.0 V的脉冲幅值测试中,低电压的亮度最先达到饱和;在0～2.0 V基准电压测试中,高基准电压时亮度值更低。分析瞬态测试结果,发现离子迁移(MA~+,Br~-)导致钙钛矿层的界面附近发生能带弯曲,使得载流子注入减弱,同时抑制了激子的离化,提高了激子复合几率。