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Stability and optoelectronic property of lead-free halide double perovskite Cs_(2)B′BiI_(6)(B′=Li,Na and K)

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Chinese Physics B 2021年第10期30卷 630-637页

作者： Yunhui Liu Wei Wang Feng Xiao Liangbin Xiong Xing Ming College of Science Guilin University of TechnologyGuilin 541004China School of optoelectronic Engineering Guangdong Polytechnic Normal UniversityGuangzhou 510665China

Although lead-based perovskite solar cells have achieved more than 25%power conversion efficiency,the toxicity of lead and instability are still urgent problems faced in industrial ***-free halide double perovskite(DP)materials are promising candidates to resolve these *** on the density functional theory,we explore the geometric stability,thermodynamic stability,mechanical stability,electronic structures,and optical properties of theCs_(2)B 0BiI_(6)(B 0=Li,Na and K)DP *** analyzing the tolerance factor and octahedral factor,we find the geometric stabilities ofCs_(2)NaBiI_(6) andCs_(2)KBiI_(6) DPs are better thanCs_(2)LiBiI_(6).By calculating the total energy,formation energy and decomposition energy,we propose that the most favorable structure ofCs_(2)B 0BiI_(6) is the orthorhombic phase,andCs_(2)LiBiI_(6) is less stable relative to the other two counterparts from an energetic *** stability evaluations reveal that the orthorhombicCs_(2)LiBiI_(6) material is less stable relative to the isostructuralCs_(2)NaBiI_(6) andCs_(2)KBiI_(6) *** mechanical property calculations indicate that theCs_(2)B 0BiI_(6) DPs possess good ductility,which can be used as flexible *** structures and optical property calculations show that the orthorhombicCs_(2)B 0BiI_(6) DPs have suitable band gap values,weaker exciton binding energies,and excellent optical absorption performance in the visible-light *** on the above comprehensive assessments,we can conclude that the orthorhombic Cs_(2)NaBiI_(6) and Cs_(2)KBiI_(6) DPs with good stability are promising candidates for solar cell applications.

关键词： lead-free halide double perovskite solar cells stability optoelectronic property

Introduction of Ag nanoparticles by picosecond LIFT to improve the photoelectric property of AZO films

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Chinese Optics Letters 2020年第4期18卷 102-108页

作者： Xiaofang Xu Jingbo Li Xiaohan Yang Sen Pan Yong Bi School of Mechanical EngineeringJiangsu University Zhenjiang 212013China Nanjing Astronomical Instruments Co.Ltd.Chinese Academy of Sciences Nanjing 210000China

The photoelectric properties of conductive films are improved by doping Ag on aluminum-doped zinc oxide(AZO)films by laser induced forward transfer(LIFT).Firstly,the picosecond laser induced transfer mechanism of Ag films was revealed by numerical simulation;then,different-thickness Ag films were deposited on the AZO films by picosecond *** the film thickness is 30 nm and,50 nm,we have successfully obtained some Ag-AZO films with better optoelectronic properties by adjusting the laser parameters.

关键词： LIFT surface treatment AZO film Ag-nanoparticles optoelectronic property

Solution-Processable Platinum-Acetylide-based Small Molecular Bulk Heterojunction Solar Cells

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Chinese Journal of Chemistry 2015年第8期33卷 917-924页

作者： Hongyu Wang Ming Chen Bin Jiang Weiqi Tong Qun Qian Kunhua Lin Feng Liu Department of Chemistry Shanghai University Shanghai 200444 China State Key Laboratory of Molecular Engineering of Polymers (Fudan University) Shanghai 200433 China Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA

Two new solution-processable A＇-D-≡-Pt（PEt3）2-≡-D-A＇ structured molecules, namely, CNPT and DRPT, were synthesized and characterized for photovoltaic applications. Their optoelectronic properties were investigated by UV-vis absorption and cyclic voltammograms. Grazing-incidence wide-angle X-ray scattering and resonant soft X-ray scattering studies revealed that the DIO additive could enhance the crystallization of CNPT and reduce the size of phase separation of CNPT：PC71BM blends, while the addition of DIO showed little influence on the crystal- lization and morphology of the DRPT：PC71BM blends. Processing with the DIO additive, CNPT：PC71BM based solar cells showed a best power conversion efficiency of 1.4%, with a Jsc of 4.14 mA·cm^-2, a Voc of 0.75 V, and a fill factor of 45.4%.

关键词： platinum acetylide optoelectronic property morphology organic solar cells

Syntheses,Crystal Structures and optoelectronic Properties of Two New Inorganic Thioantimonates

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Chinese Journal of Structural Chemistry 2021年第4期40卷 443-452,406页

作者： LI Ji-Long MA Wen JIN Jian-Ce FENG Mei-Ling HUANG Xiao-Ying College of Chemistry and Materials Science Fujian Normal UniversityFuzhou 350007China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China

Two new thioantimonates,(NH4)2Sb10S16(1)and K1.4(NH4)0.6Sb10S16(2),have been synthesized by solvothermal method with the yields of 80%and 85%,***-crystal X-ray diffraction(SCXRD)study reveals that 1 crystallizes in the monoclinic space group of Pn with a=8.1284(4),b=19.4587(9),c=9.1030(4)A,β=91.736(5)°,V=1439.14(12)A^(3),Z=2,Dc=4.077 g·cm^(-3),F(000)=1576,μ=10.389 mm^(-1),R=0.0343 and w R=0.0624(I>2σ(I));2 also crystallizes in the monoclinic space group of Pn with a=8.0989(6),b=19.3730(17),c=9.0411(6)A,β=91.879(6)°,V=1417.79(19)A^(3),Z=2,Dc=4.207 g·cm^(-3),F(000)=1598,μ=10.748 mm-1,R=0.0323 and w R=0.0664(I>2σ(I)).The anionic frameworks of two compounds both feature two-dimensional(2D)[Sb10S16]*** stabilities and optoelectronic properties of 1 and 2 have been *** particular,they are stable under acidic or alkaline conditions(pH=0 or 12.5),showing excellent acid-based resistance.

关键词： solvothermal synthesis crystal structure thioantimonates optoelectronic property

Electrical characteristics and optoelectronic properties of metal-semiconductor-metal structure with zinc oxide nanowires across Au electrodes

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Chinese Physics B 2008年第10期17卷 3875-3879页

作者：王鼎渠周兆英朱荣叶雄英 State Key Laboratory of Precision Measurement Technology and Instruments Department of Precision Instruments and Mechanology Tsinghua University

This paper reports on a method of assembling semiconducting ZnO nanowires onto a pair of Au electrodes to construct a metal--semiconductor metal （MSM） structure by dieleetrophoresis and studying on its electrical characteristics by using current-voltage （Ⅰ - Ⅴ） measurements. An electronic model with two back to back Sehottky diodes in series with a semiconductor of nanowires was established to study the electrical transport of the MSM structures. By fitting the measured Ⅰ - Ⅴ characteristics using the proposed model, the parameters of the Schottky contacts and the resistance of nanowires could be acquired. The photoelectric properties of the MSM structures were also investigated by analysing the measurements of the electrical transports under various light intensities. The deduced results demonstrate that ZnO nanowires and their Schottky contacts with Au electrodes both contribute to photosensitivity and the MSM structures with ZnO nanowires are potentially applicable for photonic devices.

关键词： ZnO nanowire MSM structure Schottky barrier optoelectronic property

TD-DFT Studies on Electronic and Spectral Properties of Platinum（II） Complexes with Phenol and Pyridine Groups

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Chemical Research in Chinese Universities 2013年第2期29卷 361-365页

作者： ZHAO Shan-shan SHI Li-li SU Zhong-min GENG Yun ZHAO Liang Institute of Functional Material Chemistry Faculty of Chemistry Northeast Normal University Changchun 130024 P. R. China

The molecular structures of the ground and the lowest triplet states for a series of Pt（ll） complexes PtLCl（l）[L=6-（2-hydroxyphenyl）-2,2＇-bipyridine], Pt（pp）2[pp=2-（2-hydroxyphenyl）pyridine]（2）, PtbpyClz（bpy=2,2＇- bipyridine）（3）, and the free tridentate L ligand（4） were optimized by the density functional theory B3LYP and UB3LYP methods, respectively. On the basis of optimized geometries, the spectral properties were investigated with time-dependent density functional theory（TD-DFT）. In comparison with those of complexes 2 and 3, the more rigid structure of complex 1 together with its low rate of the radiationless decay via nonemissive d-d state leads to higher photoluminescence quantum efficiency. And the phosphorescence quantum efficiency of complex 1 can be easily controlled by modifying auxiliary ligands. The introduction of fluorine ligand into complexes can effectively increase the radiation transition rate and decrease the radiationless d-d transition rate, and as a result, a novel complex PtLF（5） might be a good phosphorescent material suitable for organic electronic devices.

关键词： Pt(II) complex Time-dependent density functional theory(TD-DFT) optoelectronic property

High performance organic transistors and phototransistors based on diketopyrrolopyrrole-quaterthiophene copolymer thin films fabricated via low-concentration solution processing

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Chinese Chemical Letters 2018年第11期29卷 1675-1680页

作者： Pengcheng Gu Mengxiao Hu Shang Ding Guangyao Zhao Yifan Yao Feng Liu Xiaotao Zhang Huanli Dong Xiangke Wang Wenping Hu Beijing Key Laboratory for Optical Materials and Photonic Devices Department of Chemistry Capital Normal University Beijing 100048 China Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences Beijing 100190 China Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) & Department of Chemistry School of Science Tianjin University Tianjin 300072 China College of Environmental Science and Engineering North China Electric Power University Beijing 102206 China Department of Physics &Astronautics Shonghai Jiao Tong University Shanghai 200240 China

Conjugated polymers have received considerable attentions over the past years due to their large-area potential applications via low-cost solution processing. Improving crystallinity of conjugated polymer molecules in solution-processed thin films is crucial for their efficient charge transport and thus high performance optoelectronic devices. Herein, with diketopyrrolopyrrole-quaterthiophene （PDQT） copo/ymer as an example, it is found that by simply reducing the solution concentration for spincoating meanwhile with the assistance of post-annealing, significantly enhanced film crystallinity with formation of typical single crystalline domains is obtained, which benefits from the enough space for better molecular assembly especially at the semiconductor/dielectric interface. High performance polymer transistors and phototransistors were finally constructed based on the optimal lowconcentration （2 mg/mL） spin-coated PDQT films （～12 nm）, which giving a high charge carrier mobility of 2.28 cm2 V-1 s-1 and a photoresponse on/off ratio of 2.1 ×107 at VG = 0 V under white light irradiation of 6mW/cm2. The results suggest that the bright future of PDQT crystalline films for large-area flexible integrated optoelectronic devices and the application of effective low-concentration processing approach in solution-processed organic electronics with reduced material waste.

关键词： Conjugated polymer Thin film Low-concentration processing Crystallinity Molecular orders Mobility optoelectronic property

Modulating CsPbl_(3)crystallization by using diammonium agent for efficient solar cells

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SusMat 2023年第6期3卷 894-908页

作者： Junming Qiu Qisen Zhou Mei Yu Jianhua Liu Rongshan Zhuang Yong Hua Liming Ding Xiaoliang Zhang School of Materials Science and Engineering Beihang UniversityBeijingChina Yunnan Key Laboratory for Micro/Nano Materials&Technology School of Materials and EnergyYunnan UniversityKunmingChina National Center for Nanoscience and Technology BeijingChina

Cesium lead triiodide(CsPbI_(3))perovskite receives tremendous attention for photovoltaic applications,owing to its remarkable thermal stability and optoelectronic ***,realizing the CsPbI_(3)perovskite with high black-phase stability and optoelectronic properties remains a significant challenge,which largely affects the photovoltaic performance of perovskite solar cells(PSCs).Herein,aromatic ammonium agents are used to modulate the crystallization of the CsPbI_(3)perovskite to improve its black-phase stability and optoelectronic properties for efficient *** experimental studies and comprehensively theoretical calculations are performed,which reveal that histammonium dihydrochloride(HACl_(2))could strongly couple with the perovskite during its crystallization,leading to faster nucleation and slower perovskite growth,and thus modulating the crystallization dynamics of the ***,the residual diammonium cations(HA^(2+))distributed at the grain boundaries and on the surface of the perovskites can effectively passivate defects through electrostatic interactions,substantially suppressing trap-assisted nonradiative recombination,and prompting more matched perovskite surface ***,the photovoltaic performance of CsPbI_(3)PSCs is largely improved because of a combination of enhanced crystallinity and optoelectronic properties of the *** work offers a new avenue to prepare inorganic perovskites with high optoelectronic properties for photovoltaics.

关键词： crystallization modulation CsPbI_(3) diammonium salt optoelectronic property perovskite solar cells

Preparation of high-quality hydrogenated amorphous silicon film with a new microwave electron cyclotron resonance chemical vapour deposition system assisted with hot wire

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Chinese Physics B 2005年第4期14卷 834-837页

作者：朱秀红陈光华阴生毅荣延栋张文理胡跃辉 DepartmentofMaterialsScienceandEngineering BeijingUniversityofTechnologyBeijing100022China

The preparation of high-quality hydrogenated amorphous silicon (a-Si:H) film with a new microwave electron cyclotron resonance-chemical vapour deposition (MWECR-CVD) system assisted with hot wire is presented. In this system the hot wire plays an important role in perfecting the microstructure as well as improving the stability and the optoelectronic properties of the a-Si:H film. The experimental results indicate that in the microstructure of the a-Si:H film, the concentration of dihydride is decreased and a trace of microcrystalline occurs, which is useful to improve its stability and that in the optoelectronic properties of the a-Si:H film, the deposition rate reaches above 2.0nm/s and the photosensitivity increases up to 4.71×105.

关键词： hydrogenated amorphous silicon (a-Si:H) films hot wire microstructure stability optoelectronic property deposition rate