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Two-dimensional silicon-carbon hybrids with a honeycomb lattice: New family for two-dimensional photovoltaic materials

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Science China(Physics,Mechanics & Astronomy) 2015年第10期58卷 81-88页

作者： ZHANG Jin REN Jun FU HuiXia DING ZiJing LI Hui MENG Sheng Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Department of Physics Tsinghua University Collaborative Innovation Center of Quantum Matter

We predict a series of new two-dimensional(2D) inorganic materials made of silicon and carbon elements(2D SixC1?x) based on density functional theory. Our calculations on optimized structure, phonon dispersion, and finite temperature molecular dynamics confirm the stability of 2D SixC1?x sheets in a two-dimensional, graphene-like, honeycomb lattice. The electronic band gaps vary from zero to 2.5 e V as the ratio x changes in 2D SixC1?x changes, suggesting a versatile electronic structure in these sheets. Interestingly, among these structures Si0.25C0.75 and Si0.75C0.25 with graphene-like superlattices are semimetals with zero band gap as their ? and ?* bands cross linearly at the Fermi level. Atomic structural searches based on particle-swarm optimization show that the ordered 2D SixC1?x structures are energetically favorable. Optical absorption calculations demonstrate that the 2D silicon-carbon hybrid materials have strong photoabsorption in visible light region, which hold promising potential in photovoltaic applications. Such unique electronic and optical properties in 2D SixC1?x have profound implications in nanoelectronic and photovoltaic device applications.

关键词： 2D Si-C hybrids electronic structure photovoltaic materials first-principles calculations

High-Performance and Large-Area Inverted Perovskite Solar Cells Based on NiOx Films Enabled with A Novel Microstructure-Control Technology

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Energy & Environmental materials 2024年第1期7卷 157-163页

作者： Guibin Shen Xin Li Yuqin Zou Hongye Dong Dongping Zhu Yanglin Jiang Xin Ren Ng Fen Lin Peter Müller-Buschbaum Cheng Mu Key Laboratory of Advanced Light Conversion materials and Biophotonics Department of Chemistry Renmin University of China Solar Energy Research Institute of Singapore (SERIS) National University of Singapore Physik-Department Lehrstuhl für Funktionelle Materialien Technische Universit?t München Heinz Maier-Leibnitz Zentrum (MLZ) Technische Universit at München

The improvement in the efficiency of inverted perovskite solar cells（PSCs） is significantly limited by undesirable contact at the NiOx/perovskite *** this study,a novel microstructure-control technology is proposed for fabrication of porous NiOxfilms using Pluronic P123 as the structuredirecting agent and acetylacetone（AcAc） as the coordination agent.

关键词： interfacial contact inverted and large-area perovskite solar cells photovoltaic materials porous NiOX films renewable energy

Recent progress in organic solar cells(PartⅠmaterial science)

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Science China Chemistry 2022年第8期65卷 224-268页

作者： Yahui Liu Bowen Liu Chang-Qi Ma Fei Huang Guitao Feng Hongzheng Chen Jianhui Hou Lingpeng Yan Qingya Wei Qun Luo Qinye Bao Wei Ma Wei Liu Weiwei Li Xiangjian Wan Xiaotian Hu Yanchun Han Yaowen Li Yinhua Zhou Yingping Zou Yiwang Chen Yongfang Li Yongsheng Chen Zheng Tang Zhicheng Hu Zhi-Guo Zhang Zhishan Bo College of Textiles&Clothing State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao 266071China Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of SciencesSuzhou 215123China Institute of Polymer Optoelectronic materials and Devices State Key Laboratory of Luminescent Materials and DevicesSouth China University of TechnologyGuangzhou 510640China Beijing Advanced Innovation Center for Soft Matter Science and Engineering&State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Silicon materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou 310027China Beijing National Laboratory for Molecular Sciences Institute of ChemistryChinese Academy of SciencesBeijing 100190China State Key Laboratory of Powder Metallurgy College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China School of Physics and Electronic Science East China Normal UniversityShanghai 200241China State Key Laboratory for Mechanical Behavior of materials Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory and Institute of Elemento-Organic Chemistry Key Laboratory of Functional Polymer MaterialsCollege of ChemistryNankai UniversityTianjin 300071China College of Chemistry/Institute of Polymers and Energy Chemistry(IPEC) Nanchang UniversityNanchang 330031China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Laboratory of Advanced Optoelectronic materials College of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China Center for Advanced Low-Dimension materials State Key Laboratory for Modification of Chemical Fibers and Polymer Material

During past several years,the photovoltaic performances of organic solar cells(OSCs)have achieved rapid progress with power conversion efficiencies(PCEs)over 18%,demonstrating a great practical application *** development of material science including conjugated polymer donors,oligomer-like organic molecule donors,fused and nonfused ring acceptors,polymer acceptors,single-component organic solar cells and water/alcohol soluble interface materials are the key research topics in OSC ***,the recent progress of these aspects is systematically ***,the current problems and future development are also discussed.

关键词： organic solar cells power conversion efficiency photovoltaic materials polymer solar cells

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Synthesis and characterization of novel conjugated polymers based on 3-cyclobutene-l,2-dione moiety

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Chinese Chemical Letters 2011年第11期22卷 1326-1330页

作者： Er Fu Huo Yong Zou Hui Qin Sun Yan Huang Zhi Yun Lu Qing Jiang College of Chemistry Sichuan University Chengdu 610064 China Analytical ＆ Testing Center Sichuan University Chengdu 610064 China

Three novel conjugated polymers bearing 3,4-bis（4-hexylthiophen-2-yl）-3-cyclobutene-1,2-dione unit in their main chain have been synthesized successfully in good yields through Suzuki or Stille coupling *** molecular structures have been confirmed by FT-IR,~1H NMR and ^（13）C *** these copolymers exhibit broad and strong absorption bands in UV-vis region,and their optical band gaps are calculated to be 1.6-2.0 *** that they have good coverage with the solar *** polymers have good thermostability and solubility in common organic ***,all these objective macromolecules possess high electron affinity of～3.8 eV determined from cyclic voltammetry measurement,implying that they are potential n-type polymeric photovoltaic materials.

关键词： Conjugated polymers 3-Cyclobutene-1 2-dione High electron affinity photovoltaic materials

苯并[1,2-b:4,5-b｀]二噻吩共聚物光伏材料的光电性能的理论研究(英文)

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苯并[1,2-b:4,5-b｀]二噻吩共聚物光伏材料的光电性能的理论研究(...