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含Mo—O的无机/有机杂化晶体的水热合成与表征
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作者 王仁章 翟宏菊 +2 位作者 戚竹 于传国 孙文颉 《松辽学刊(自然科学版)》 2001年第3期9-11,共3页
用水热方法合成了Mo—O/EN的无机 /有机杂化晶体 ,并用X—射线衍射对其结构进行了表征 .该晶体属于单斜晶系 ,P2 (1 ) /n空间群 ,a =8.0 86(2 ) A ,b =1 4 .4 67(1 ) A ,c =8.92 0 (1 ) A ,β =98.1 5 2 (1 4 )°,V=1 0 3 2 .9(2... 用水热方法合成了Mo—O/EN的无机 /有机杂化晶体 ,并用X—射线衍射对其结构进行了表征 .该晶体属于单斜晶系 ,P2 (1 ) /n空间群 ,a =8.0 86(2 ) A ,b =1 4 .4 67(1 ) A ,c =8.92 0 (1 ) A ,β =98.1 5 2 (1 4 )°,V=1 0 3 2 .9(2 ) A3。 展开更多
关键词 水热合成 Mo-O/EN晶体 结构表征 钼-氧簇 无机/有机杂化晶体 X-射线衍射分析
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无机/有机杂化材料的制备及商品化 被引量:2
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作者 徐炽焕 《化工新型材料》 CAS CSCD 2001年第1期26-29,共4页
本文概述了用溶胶—凝胶法制备无机 /有机杂化材料的最近进展。
关键词 溶胶-凝胶法 无机/有机杂化材料 有机聚合物 无机 原位聚合
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无机/有机稀土配合物杂化发光材料研究进展 被引量:17
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作者 孙丽宁 符连社 +3 位作者 刘丰祎 彭春耘 郭俊芳 张洪杰 《发光学报》 EI CAS CSCD 北大核心 2005年第1期15-26,共12页
近年来材料的发展趋势是功能互补,性能优化。稀土配合物发光强度大、单色性好,缺点是光稳定性和热稳定性较差,因此须将其掺入一定基质中,这样所得到的有机 /无机杂化发光材料,兼备了有机、无机材料的优点。根据杂化材料中稀土配合物与... 近年来材料的发展趋势是功能互补,性能优化。稀土配合物发光强度大、单色性好,缺点是光稳定性和热稳定性较差,因此须将其掺入一定基质中,这样所得到的有机 /无机杂化发光材料,兼备了有机、无机材料的优点。根据杂化材料中稀土配合物与基质之间作用力不同,可分为第一类杂化材料 (两相间以弱键如氢键等结合)和第二类杂化材料(两相间以强键如共价键等结合 )。对这两类杂化材料近年来国内外的研究情况作了综合评述,并展望了其发展趋势。 展开更多
关键词 稀土配合物 无机/有机杂化 发光 溶胶-凝胶
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荧光无机/有机杂化纳米分子口袋的构建
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作者 杨慧 刘礼兵 +4 位作者 张洲 薛峥 李勇军 王树 刘辉彪 《化学学报》 SCIE CAS CSCD 北大核心 2014年第12期1218-1222,共5页
利用能量匹配原则将无机半导体ZnO纳米粒子与有机半导体四苯基卟啉四羧酸(TCPP)分子进行组装,在无机-有机组分之间的界面构建了杂化纳米分子口袋ZNPs-TCPP,该纳米分子口袋对四苯基卟啉(TPP)分子具有高选择性识别功能,同时其荧光增强了5... 利用能量匹配原则将无机半导体ZnO纳米粒子与有机半导体四苯基卟啉四羧酸(TCPP)分子进行组装,在无机-有机组分之间的界面构建了杂化纳米分子口袋ZNPs-TCPP,该纳米分子口袋对四苯基卟啉(TPP)分子具有高选择性识别功能,同时其荧光增强了5倍以上,并成功地将该杂化纳米分子口袋用于肺腺癌细胞(A549)的细胞成像. 展开更多
关键词 纳米分子口袋 卟啉 无机/有机杂化 细胞成像
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纳米SiO_2/有机硅原位杂化材料的研究 被引量:1
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作者 董辉 谭生 《中国涂料》 CAS 2014年第7期24-29,共6页
通过溶胶-凝胶法原位生成纳米SiO2/有机硅树脂杂化材料,试验考察了有机硅树脂与纳米二氧化硅以不同比例杂化得到的杂化材料对涂膜耐磨性能、附着力和固化时间的影响,确定有机硅树脂与纳米二氧化硅的最佳杂化比例为纳米二氧化硅在有机硅... 通过溶胶-凝胶法原位生成纳米SiO2/有机硅树脂杂化材料,试验考察了有机硅树脂与纳米二氧化硅以不同比例杂化得到的杂化材料对涂膜耐磨性能、附着力和固化时间的影响,确定有机硅树脂与纳米二氧化硅的最佳杂化比例为纳米二氧化硅在有机硅树脂中的质量分数为35%;通过红外、SEM、TG等检测手段对杂化材料进行表征。从化学结构和微观结构推测杂化材料可能具有的优势。 展开更多
关键词 纳米材料 无机/有机杂化 涂膜
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反应烧结碳化硅陶瓷的制备及烧结机理 被引量:14
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作者 郝寅雷 赵文兴 《耐火材料》 EI CAS 北大核心 2000年第6期313-315,共3页
用溶胶 -凝胶法合成的无机 /有机杂化材料结合SiC +C混合粉料制成了反应烧结碳化硅陶瓷素坯 ,并对由这种素坯制成的碳化硅陶瓷进行了物相鉴定和显微结构观察 ;借助Si -C相图对反应烧结碳化硅的烧结机理进行了研究 ,分析表明其主要烧结... 用溶胶 -凝胶法合成的无机 /有机杂化材料结合SiC +C混合粉料制成了反应烧结碳化硅陶瓷素坯 ,并对由这种素坯制成的碳化硅陶瓷进行了物相鉴定和显微结构观察 ;借助Si -C相图对反应烧结碳化硅的烧结机理进行了研究 ,分析表明其主要烧结机理为溶解 -再沉淀型。 展开更多
关键词 反应烧结 硅陶瓷 溶胶-凝胶 无机/有机杂化材料 溶解-再沉淀
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溶胶-凝胶技术在化学领域中的新应用 被引量:6
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作者 金华峰 唐小东 韩波 《安康师专学报》 2001年第1期71-75,共5页
溶胶 -凝胶 (sol-gel)技术是一种很有发展前途的固体材料制备方法 ,已引起众多领域重视 .本文简要综述了sol -gel技术在合成无机纳米材料、合成无机 /有机杂化聚合物 。
关键词 应用 溶胶-凝胶技术 纳米材料 无机/有机杂化聚合物 学生物传感器
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基于硅溶胶-凝胶/褐藻酸钠复合膜包埋酪氨酸酶的苯酚传感器研制 被引量:4
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作者 雷存喜 沈国励 俞汝勤 《分析化学》 SCIE EI CAS CSCD 北大核心 2007年第2期273-276,共4页
将天然聚合物褐藻酸钠添加到无机硅溶胶-凝胶膜,获得一种新型的无机/有机杂化膜。用此杂化膜包埋酪氨酸酶,制备电化学苯酚传感器。研究表明:硅溶胶-凝胶/褐藻酸钠复合膜能有效克服纯无机溶胶-凝胶膜的脆性;避免膜的裂开;提供生物酶所适... 将天然聚合物褐藻酸钠添加到无机硅溶胶-凝胶膜,获得一种新型的无机/有机杂化膜。用此杂化膜包埋酪氨酸酶,制备电化学苯酚传感器。研究表明:硅溶胶-凝胶/褐藻酸钠复合膜能有效克服纯无机溶胶-凝胶膜的脆性;避免膜的裂开;提供生物酶所适宜的微环境;有效保持所固定酶的生物活性。所制备的传感器测定苯酚的线性响应范围为3.4-93.1μmol/L,其线性回归方程i(μA)=0.0774C(μmol/L)+0.1616,r=0.9980。检出限为1.33μmol/L。 展开更多
关键词 褐藻酸钠 无机/有机杂化 酪氨酸酶 学苯酚传感器
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Synthesis and characterization of hybrid organic-inorganic materials based on EA-MAn-APTES and silica 被引量:1
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作者 邱凤仙 周钰明 +1 位作者 刘举正 张旭苹 《Journal of Southeast University(English Edition)》 EI CAS 2005年第1期63-67,共5页
Poly (EA-MAn-APTES)/silica hybrid materials were successfully prepared fromEthyl acrylate (EA), maleic anhydride (MAn) and tetraethoxysilane (TEOS) in the presence of acoupling agent 3-aminopropyltriethoxysilane (APTE... Poly (EA-MAn-APTES)/silica hybrid materials were successfully prepared fromEthyl acrylate (EA), maleic anhydride (MAn) and tetraethoxysilane (TEOS) in the presence of acoupling agent 3-aminopropyltriethoxysilane (APTES),by free-radical solution polymerization and insitu sol-gel process. The mass fraction of TEOS varied from 0 to 25%. The hybrid materials werecharacterized by the methods of FT-IR spectra, solvent extraction, scanning electron microscope (SEM), transmission electron microscope (TEM), differential scanning calorimetry (DSC) andthermogravimetric analysis (TGA) measuring apparatus to get their structures, gel contents,morphologies, particle sizes and thermal performances. The results show that the covalent bonds arebetween organic and inorganic phases, gel contents in the hybrid materials are much higher, theSiO_2 phase is well dispersed in the polymer matrix, silicon dioxide exist at nanoscale in thecomposites and have excellent thermal stability. 展开更多
关键词 organic-inorganic hybrid material sol-gel process Ethyl acrylate maleicanhydride 3-aminopropyltriethoxysilane (APTES)
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Effect of cerium ion(Ⅲ) on corrosion resistance of organic-inorganic hybrid coating on surface of aluminum-tube used in refrigeration equipment
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作者 肖围 缪畅 +1 位作者 黄雄 满瑞林 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第11期3847-3854,共8页
Organic?inorganic hybrid coating on the surface of aluminum-tube used in refrigeration equipment using cerium ion (III) as the additive was fabricated by sol?gel method, and the structure of the coating was confirmed ... Organic?inorganic hybrid coating on the surface of aluminum-tube used in refrigeration equipment using cerium ion (III) as the additive was fabricated by sol?gel method, and the structure of the coating was confirmed by FT-IR. The results of the characterization show that the corrosion resistance of the coating with 1.5 mmol/L cerium ion (III) gains significant improvement, in which the colour retention time of CuSO4 extends to 500 s, the anti-acid and alkali corrosion rates reduce by 67% and 70% compared with the blank one, respectively, and the salt spray tests also show good corrosion resistance. The electrochemical tests demonstrate that the self-corrosion current density and potential of the sample with hybrid coating are about 2.877×10?7 A/cm2 and?0.550 V, respectively. The metallographic and SEM images show that the hybrid coating is uniform and dense, and the EDS analysis confirms that the coating is mainly composed of Al, Si and Ce elements. 展开更多
关键词 aluminum-tube organic-inorganic hybrid coating corrosion resistance cerium ion(Ⅲ) refrigeration equipment
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本期专家介绍
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《河南师范大学学报(自然科学版)》 CAS 北大核心 2018年第6期126-126,共1页
马晓明,博士,河南师范大学化学化工学院教授,硕士生导师,河南省学术技术带头人,河南省高校科技创新团队带头人,河南省高校科技创新人才,河南师范大学杰出青年科研创新人才,河南师范大学青年骨干教师及优秀硕士指导教师.主要研... 马晓明,博士,河南师范大学化学化工学院教授,硕士生导师,河南省学术技术带头人,河南省高校科技创新团队带头人,河南省高校科技创新人才,河南师范大学杰出青年科研创新人才,河南师范大学青年骨干教师及优秀硕士指导教师.主要研究方向有生物矿化、基于细胞的仿生合成、具有分级结构的无机/有机杂化材料的设计合成及结构性能关系、生物燃料电池与生物传感器等. 展开更多
关键词 无机/有机杂化材料 专家 工学院 师范大学 结构性能关系 生物燃料电池 科技创新 创新人才
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Photoconductivity of novel poly(N-vinyl)-3-[p-nitrophenylazo]carbazole/CdS-nanoparticle polymer composite
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作者 丁莉芸 姜德生 +4 位作者 黄俊 戴磊 刘诚 王军涛 李斌 《中国有色金属学会会刊:英文版》 CSCD 2006年第B01期191-194,共4页
The photoconductive characteristic of the inorganic/organic hybridized polymer system is reported, in which a novel bi-functional photorefractive (PR) poly(N-vinyl)-3-[p-nitrophenylazo]carbazole (PVNPAK) serves as a p... The photoconductive characteristic of the inorganic/organic hybridized polymer system is reported, in which a novel bi-functional photorefractive (PR) poly(N-vinyl)-3-[p-nitrophenylazo]carbazole (PVNPAK) serves as a polymeric charge-transporting and second-order nonliner optical matrix and quantum dots composed of surface passivated cadmium sulfide serve as a charge-generation sensitizer. The hybrid PVNPAK/CdS-nanoparticles polymer composites with different mass ratio of CdS to PVNPAK were prepared. The generation of photocurrent on illumination and photoconductive properties of the PVNPAK/CdS-nanoparticles polymer composites were studied. The results show that the addition of CdS nanoparticle as a photosensitizer can enhance the photoconductivity of the PVNPAK significantly because of the properties of the high quantum efficiency of photosensitization and high charge transport to conducting polymer. 展开更多
关键词 光电导性 聚乙烯基对硝基苯偶氮咔唑 CDS纳米粒子 无机/有机杂化聚合物体系 复合材料
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Inorganic-organic hybrid photocatalysts:Syntheses,mechanisms,and applications 被引量:6
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作者 Hui Yang Kai Dai +1 位作者 Jinfeng Zhang Graham Dawson 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2022年第8期2111-2140,共30页
Inorganic-organic hybrid materials are promising for application in the field of photocatalysis because of their excellent properties.Therefore,their syntheses,mechanisms,and applications are reviewed in this paper.Fi... Inorganic-organic hybrid materials are promising for application in the field of photocatalysis because of their excellent properties.Therefore,their syntheses,mechanisms,and applications are reviewed in this paper.First,we introduce the role of inorganic-organic photocatalysts,their advantages and disadvantages,and their design principles.Second,we present the top-down and bottom-up synthesis methods of the hybrid materials.The interaction between inorganic and organic components in hybrid materials is discussed,followed by how to improve inorganic-organic photocatalysts.Third,the applications of hybrid materials in the field of photocatalysis,such as realizing hydrogen evolution,organic pollutant degradation,heavy metals and CO_(2) reduction,sterilization,and nitrogen fixation,are examined.Finally,the application prospects and development directions of inorganic-organic hybrid materials are explored and the unsolved problems are described. 展开更多
关键词 PHOTOCATALYST Inorganic-organic hybrid SYNTHESIS MECHANISM Application
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Preparation and Characterization of Hybrid Aqueous Dispersions Composed of Silica Sol and Poly(styrene-co-acrylate) 被引量:4
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作者 黄福明 张国伟 +1 位作者 胡春圃 应圣康 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2005年第6期816-823,共8页
A stable silica sol with 3-5 nm in diameter, which can form homogeneous film without crack, was prepared and characterized. Then, the inorganic-organic hybrid aqueous dispersion composed of such a silica sol and an em... A stable silica sol with 3-5 nm in diameter, which can form homogeneous film without crack, was prepared and characterized. Then, the inorganic-organic hybrid aqueous dispersion composed of such a silica sol and an emulsion of styrene (St) and acrylate (Ac) copolymer was prepared and the hybrid effect between the silica sol and poly(St-co-Ac) was observed by Fourier transform infra-red (FT-IR) spectroscope. The toughness of the film prepared by this kind of hybrid aqueous dispersion was excellent, as it was enhanced appreciably by commixing with a small amount of poly(St-co-Ac) emulsion. Some amino-polysiloxane modified hybrid aqueous dispersions were also prepared and the properties of the modified dispersions and their films were investigated. The experimental results showed that the film prepared with such an amino-polysiloxane modified hybrid dispersion exhibited excellent hydrophobicity and low surface energy after heat treatment for 1.5 h, during which the formation of the graft copolymer was observed. The surface energy of this film decreases as a result of the enrichment of siloxane segments on the film surface. 展开更多
关键词 silica sol COPOLYMER aqueous dispersion inorganic-organic hybrid amino-polysiloxane
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Synthesis and Characterization of Poly(St-co-BA) Latex with an Organic-Inorganic Hybrid Compound as Emulsifier 被引量:5
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作者 袁俊杰 周树学 +1 位作者 廖建和 武利民 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2003年第4期483-488,共6页
A poly (St-co-BA) latex was successfully synthesized by using an organic-inorganic hybrid compound (OIHC), an aliphatic carboxylate sodium/nano-silica composite, as the emulsifier, and investigated by particle size an... A poly (St-co-BA) latex was successfully synthesized by using an organic-inorganic hybrid compound (OIHC), an aliphatic carboxylate sodium/nano-silica composite, as the emulsifier, and investigated by particle size analyzer, transmission electron microscope (TEM), optical contact angle measurement (OCA) and dynamic mechanical analyzer (DMA). It was found that the protective agent, sodium polyacrylate (PA),could obviously improve the polymerization stability and the functional monomer, glycidyl methacrylate (GMA), could enhance the store stability of the latex. The particle size of poly(St-co-BA) latex decreased and then leveled off as OIHC content increased. TEM shows that the prepared polymers were actually organic-inorganic nanocomposites, and these films have better waterproof property than those prepared by traditional poly(St-co-BA) latex or organic silicone modified poly(St-co-BA) latex. The nanocomposite polymer has much higher glass transition temperature than organic silicone modified poly(St-co-BA) polymer containing the same organic silicone content. 展开更多
关键词 organic-inorganic hybrid compound emulsion polymerization NANOCOMPOSITE
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Layered Double Hydroxide Modified by PEGylated Hyaluronic Acid as a Hybrid Nanocarrier for Targeted Drug Delivery 被引量:3
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作者 董岸杰 李雪 +6 位作者 王伟伟 韩尚聪 刘鉴锋 刘金剑 赵军强 许舒欣 邓联东 《Transactions of Tianjin University》 EI CAS 2016年第3期237-246,共10页
In recent years, organic-inorganic hybrid nanocarriers are explored for effective drug delivery and preferable disease treatments. In this study, using 5-fluorouracil(5-FU)as electronegative model drug, a new type of ... In recent years, organic-inorganic hybrid nanocarriers are explored for effective drug delivery and preferable disease treatments. In this study, using 5-fluorouracil(5-FU)as electronegative model drug, a new type of organic-inorganic hybrid drug delivery system(LDH/HA-PEG/5-FU)was conceived and manufactured by the adsorption of PEGylated hyaluronic acid(HA-PEG)on the surface of layered double hydroxide(LDH, prepared via hydrothermal method)and the intercalation of 5-FU in the interlamination of LDH via ion exchange strategy. The drug loading amount of LDH/HA-PEG/5-FU achieved as high as 34.2%. LDH, LDH/5-FU and LDH/HA-PEG/5-FU were characterized by FT-IR, XRD, TGA, laser particle size analyzer and SEM. With the benefit of p Hdegradable feature of LDH and enzyme-degradable feature of HA, LDH/HA-PEG/5-FU showed p H-degradable and enzyme-degradable capacity in in vitro drug release. Moreover, the drug carrier LDH/HA-PEG contained biocompatible PEG and tumor-targeted HA, resulting in lower cytotoxicity and better endocytosis compared with LDH in vitro. It was suggested that the organic-inorganic hybrid drug delivery system, which was endowed with the properties of controlled release, low toxicity and tumor-targeting delivery for ameliorative cancer therapy, was advisable and might be applied further to fulfill other treatments. 展开更多
关键词 layered double hydroxide HA-PEG intercalation/adsorption controlled release targeted drug delivery
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Aromatic bromination with hydrogen production on organic‐inorganic hybrid perovskite‐based photocatalysts under visible light irradiation
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作者 Yanfei Zhang Hong Wang +1 位作者 Yan Liu Can Li 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2022年第7期1805-1811,共7页
Aromatic bromides are important chemicals in nature and chemical industries.However,their tra‐ditional synthesis routes suffer from low atomic economy and pollutant formation.Herein,we show that organic-inorganic hyb... Aromatic bromides are important chemicals in nature and chemical industries.However,their tra‐ditional synthesis routes suffer from low atomic economy and pollutant formation.Herein,we show that organic-inorganic hybrid perovskite methylammonium lead bromide(MAPbBr_(3))nanocrystals stabilized in aqueous HBr solution can achieve simultaneous aromatic bromination and hydrogen evolution using HBr as the bromine source under visible light irradiation.By hybridizing MAPbBr_(3) with Pt/Ta_(2)O_(5) and poly(3,4‐ethylenedioxythiophene)polystyrene sulfonate as electron‐and hole‐transporting motifs,aromatic bromides were achieved from aromatic compounds with high yield(up to 99%)and selectivity(up to 99%)with the addition of N,N‐dimethylformamide or its analogs.The mechanistic studies revealed that the bromination proceeds via an electrophilic attack pathway and that HOBr may be the key intermediate in the bromination reaction. 展开更多
关键词 Photocatalysis BROMINATION Hydrogen Organic‐inorganic hybrid perovskite material Methylammonium lead bromide
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Crystallographic Characterization of the Novel Inorganic-organic Hybrid Coordinated Polymer: [(C_(22)H_(50)N_2)(Ag_2I_4)]_n
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作者 李浩宏 陈之荣 +2 位作者 黄长沧 肖光参 任永刚 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第9期1009-1012,共4页
A novel coordinated polymer [(C22H50N2)(Ag2I4)]n([C22H50N2]2+ = N,N?-1,2- ethylence-bis(N,N?-dimethyl octane ammonium) (EDO)) was synthesized by the reaction of AgI and EDO at room temperature with pH = 6.8, and struc... A novel coordinated polymer [(C22H50N2)(Ag2I4)]n([C22H50N2]2+ = N,N?-1,2- ethylence-bis(N,N?-dimethyl octane ammonium) (EDO)) was synthesized by the reaction of AgI and EDO at room temperature with pH = 6.8, and structurally characterized by means of X-ray single- crystal diffraction. It crystallizes in triclinic, space group P1 with a = 9.6080(1), b = 12.7643(2), c = 7.2157(8) ? a = 100.835(8), ?= 91.030(3), ? = 91.297(9)o, (C21.50H48.50Ag2I4N2), Mr = 1058.46, V = 868.71(19) 3, Z = 1, Dc = 2.023g/cm3, F(000) = 497.5, ?MoKa) = 4.692 mm-1, the final R = 0.0623 and wR = 0.1949 for 2641 observed reflections with I > 2s(I). The title compound consists of cations ([C22H50N2]2+) and anion chain (Ag2I42-)∞ which are combined by static attracting forces in the crystal to form the so-called organic-inorganic hybrid material. 展开更多
关键词 coordination polymers template synthesis IODIDE quaternary ammonium
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Polarized Electronic Spectra of Organic/Inorganic Hybrid Materials of Chiral Schiff Base Ni(ll) or Cu(ll) Complexes and Disperse Red 1 or Azobenzene in PMMA Films
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作者 Takashiro Akitsu Yukie Miura 《Journal of Chemistry and Chemical Engineering》 2011年第5期443-450,共8页
We have prepared new chiral Schiff base complexes, and copper(Ⅱ) (2) to investigate steric effect of ligands for 1 and bis(N-R-l-phenylethyl-5- methoxysalicydenaminato) nickel(Ⅱ) (1) 2 and known bis(N-R-l... We have prepared new chiral Schiff base complexes, and copper(Ⅱ) (2) to investigate steric effect of ligands for 1 and bis(N-R-l-phenylethyl-5- methoxysalicydenaminato) nickel(Ⅱ) (1) 2 and known bis(N-R-l-phenylethyl-3,5-dichlorosalicydenaminato) nickel(Ⅱ) (3) and copper(Ⅱ) (4). By using two kinds of photochromic dyes, disperse red 1 (DRI) and azobenzene (AZ), we investigated the efficiency of increasing optical anisotropy of organic/inorganic hybrid materials of 1 through 4+AZ or DRI+PMMA in polymethylmethacrylate (PMMA) cast films by Weigert effect (and compared with cis-trans isomerization by alternate UV and visible light for 3 and 4 to previous study). Gradual increase of optical anisotropy was observed for all the hybrid materials regardless of flexibility of Schiff base complexes, and the degree of dichroism and weak intermolecular interactions were discussed based on polarized absorption electronic spectra. 展开更多
关键词 PHOTOCHROMISM CHIRALITY polarized light metal complexes Schiff base.
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Charge Localization Induced by Reorientation of FA Cations Greatly Suppresses Nonradiative Electron-Hole Recombination in FAPbI3 Perovskites:a Time-Domain Ab Initio Study
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作者 Jin-lu He Yong-hao Zhu Run Long 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2020年第5期642-648,I0079,共8页
Recent experiments report the rotation of FA(FA=HC[NH2]2+)cations significantly influence the excited-state lifetime of FAPbI3.However,the underlying mechanism remains unclear.Using ab initio nonadiabatic(NA)molecular... Recent experiments report the rotation of FA(FA=HC[NH2]2+)cations significantly influence the excited-state lifetime of FAPbI3.However,the underlying mechanism remains unclear.Using ab initio nonadiabatic(NA)molecular dynamics combined with time-domain density functional simulations,we have demonstrated that reorientation of partial FA cations significantly inhibits nonradiative electron-hole recombination with respect to the pristine FAPbI3 due to the decreased NA coupling by localizing electron and hole in different positions and the suppressed atomic motions.Slow nuclear motions simultaneously increase the decoherence time,which is overcome by the reduced NA coupling,extending electron-hole recombination time scales to several nanoseconds and being about 3.9 times longer than that in pristine FAPbI3,which occurs within sub-nanosecond and agrees with experiment.Our study established the mechanism for the experimentally reported prolonged excited-state lifetime,providing a rational strategy for design of high performance of perovskite solar cells and optoelectronic devices. 展开更多
关键词 Hybrid organic-inorganic perovskite Localized charge Non-radiative electronhole recombination Nonadiabatic molecular dynamics Time-dependent density functional theory
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