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Extended X-ray absorption fine structure (EXAFS) of FAPbI_(3) for understanding local structure-stability relation in perovskite solar cells
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作者 Dong-Ho Kang Yong-Jun Park +1 位作者 Yun-Sung Jeon Nam-Gyu Park 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第4期549-554,共6页
Perovskite solar cells (PSCs) employing formamidinium lead iodide (FAPbI_(3)) have shown high efficiency.However,operational stability has been issued due to phase instability of α phase FAPbI_(3) at ambient temperat... Perovskite solar cells (PSCs) employing formamidinium lead iodide (FAPbI_(3)) have shown high efficiency.However,operational stability has been issued due to phase instability of α phase FAPbI_(3) at ambient temperature.Excess precursors in the perovskite precursor solution has been proposed to improve not only power conversion efficiency (PCE) but also device stability.Nevertheless,there is a controversial issue on the beneficial effect on PCE and/or stability between excess FAI and excess PbI_(2).We report here extended X-ray absorption fine structure (EXAFS) of FAPbI_(3) to study local structural change and explain the effect of excess precursors on photovoltaic performance and stability.Perovskite films prepared from the precursor solution with excess PbI_(2)shows better stability than those from the one with excess FAI,despite similar PCE.A rapid phase transition from α phase to non-perovskite δ phase is observed from the perovskite film formed by excess FAI.Furthermore,the (Pb-I) bond distance evaluated by the Pb L_(III)-edge EXAFS study is increased by excess FAI,which is responsible for the phase transition and poor device stability.This work can provide important insight into local structure-stability relation in the FAPbI_(3)-based PSCs. 展开更多
关键词 extended x-ray absorption fine structure exafs Excess precursor Local structure STABILITY Perovskite solar cells
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Quick-scanning X-ray absorption fine structure beamline at SSRF 被引量:1
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作者 Yu Chen Qian Gao +2 位作者 Zheng Jiang Jiong Li Shuo Zhang 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第6期1-13,共13页
The layout and characteristics of the hard X-ray spectroscopy beamline(BL11B)at the Shanghai synchrotron radiation facility are described herein.BL11B is a bending-magnet beamline dedicated to conventional and millise... The layout and characteristics of the hard X-ray spectroscopy beamline(BL11B)at the Shanghai synchrotron radiation facility are described herein.BL11B is a bending-magnet beamline dedicated to conventional and millisecond-scale quick-scanning X-ray absorption fine structures.It is equipped with a cylindrical collimating mirror,a double-crystal monochromator comprising Si(111)and Si(311),a channel-cut quick-scanning Si(111)monochromator,a toroidal focusing mirror,and a high harmonics rejection mirror.It can provide 5-30 keV of X-rays with a photon flux of~5×10^(11)photons/s and an energy resolution of~1.31×10^(-4)at 10 keV.The performance of the beamline can satisfy the demands of users in the fields of catalysis,materials,and environmental science.This paper presents an overview of the beamline design and a detailed description of its performance and capabilities. 展开更多
关键词 Bending magnet beamline x-ray absorption fine structure Quick-scanning XAFS In situ Synchrotron radiation
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Local Structure Analysis of Lead Zinc Niobate-Barium Titanate Ceramic by X-Ray Absorption Spectroscopy and Density Functional Calculation
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作者 Kanokwan Kanchiang Phakkhananan Pakawanit Rattikorn Yimnirun 《Chinese Physics Letters》 SCIE CAS CSCD 2017年第8期113-116,共4页
The local structure of an alternative Pb(Zn1/3Nb2/3)O3-based perovskite ceramic is investigated. The 0.07BaTiO33-0.93Pb(Zn1/3Nb2/3)O3 ceramic is synthesized using a combination of Zn3Nb2O8 B-site precursor and BaT... The local structure of an alternative Pb(Zn1/3Nb2/3)O3-based perovskite ceramic is investigated. The 0.07BaTiO33-0.93Pb(Zn1/3Nb2/3)O3 ceramic is synthesized using a combination of Zn3Nb2O8 B-site precursor and BaTiO33 perovskite phase stabilizer. Then, x-ray absorption spectroscopy and density functional theory are employed to calculate the local structure configuration and formation energy of the prepared samples. Ba2+ is found to replace Pb2+ in AA-site with Zn2+ occupying BB-site in Pb(Zn1/3Nb2/3)O3, while in the neighboring structure, Ti4+4+ replaces Nb5+5+ in BB-site with Pb2+2+ occupying AA-site. With the substitution of BaTiO33 in Pb(Zn1/3Nb2/3)O3, the bond length between Zn2+ and Pb2+ is longer than that of the typical perovskite phase of Pb(Zn1/3Nb2/3)O3. This indicates the key role of BaTiO33 in decreasing the steric hindrance of Pb2+ lone pair, and the mutual interactions between Pb2+ lone pair and Zn2+ and the formation energy is seen to decrease. This finding of the formation energy and local structure configuration relationship can further extend a fundamental understanding of the role of BaTiO33 in stabilizing the perovskite phase in PbZn13Nb23O3-based materials, which in turn will lead to an improved preparation technique for desired electrical properties. 展开更多
关键词 PB Local structure Analysis of Lead Zinc Niobate-Barium Titanate Ceramic by x-ray absorption Spectroscopy and Density Functional Calculation exafs BA XANES Zn
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Approach to Automated In-situ X-Ray Absorption Fine Structure Spectroscopy Characterization
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作者 XIA Yinghao ZHANG Guikai +8 位作者 LIU Wenchao CAI Guolei JIN Song AN Pengfei HUANG Huan ZHENG Lirong JI Hengxing CHU Shengqi ZHANG Jing 《Chemical Research in Chinese Universities》 2025年第2期313-318,共6页
In order to expand the range of synchrotron radiation structural characterization modes,an automated in-situ X-ray absorption fine structure(XAFS)spectroscopy characterization for electrochemical research has been est... In order to expand the range of synchrotron radiation structural characterization modes,an automated in-situ X-ray absorption fine structure(XAFS)spectroscopy characterization for electrochemical research has been established.An in-situ control system equipped with an automatic trigger capability facilitates automated acquisition of XAFS and electrochemical data.Furthermore,the quick scanning XAFS(QXAFS)terminal,in-situ server and data storage were all controlled by remote users,enabling remote measurement to be achieved.Using this system,the evolution of the local structure near Fe atoms during the charging and discharging of lithium-sulfur battery(LSB)cathode materials was observed,which provides deep insights into the sulfur reaction pathway in LSBs by leveraging structural information.The system established here paves the way for fully automated and intelligent in-situ XAFS experiments. 展开更多
关键词 REMOTE AUTOMATION In-situ x-ray absorption fine structure(XAFS)spectroscopy ELECTROCHEMICAL
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Synthesis, characterization and extended X-ray absorption fine structure of novel polynuclear copper complexes with new eighteen-membered macrocycle ligands
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作者 杨鲁勤 巨新 吴瑾光 《Chinese Science Bulletin》 SCIE EI CAS 1996年第12期1000-1005,共6页
Macrocycle compounds have great importance in host-guest chemistry and moleculeidentifications. 4-acetyl-bispyrazolones are a new type of polydentate ligands. Whenthey react with diamine compounds, new compounds or co... Macrocycle compounds have great importance in host-guest chemistry and moleculeidentifications. 4-acetyl-bispyrazolones are a new type of polydentate ligands. Whenthey react with diamine compounds, new compounds or complexes containing C=O andC=N groups can be obtained. These compounds can be used to study the relationship ofcoordination structure and its properties, energy transferring processes between metal 展开更多
关键词 copper complex MACROCYCLE SCHIFF-BASE PYRAZOLONE extended x-ray absorption fine structure (exafs).
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非晶态镍硼酸盐结构的EXAFS研究(英文) 被引量:3
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作者 刘红艳 房春晖 +5 位作者 房艳 周永全 朱发岩 戈海文 杨子祥 唐玉玲 《物理化学学报》 SCIE CAS CSCD 北大核心 2014年第11期1979-1986,共8页
由摩尔比分别为1:2和1:8的NiCl2·6H2O和Na2B4O7·10H2O作为反应物,合成两种非晶态镍硼酸盐,同时通过水热法合成β-Ni(OH)2.化学分析和热重-微商热重法(TG-DTG)分析结果确定两种非晶态镍硼酸盐的分子组成分别为NiO·0.8B2O3... 由摩尔比分别为1:2和1:8的NiCl2·6H2O和Na2B4O7·10H2O作为反应物,合成两种非晶态镍硼酸盐,同时通过水热法合成β-Ni(OH)2.化学分析和热重-微商热重法(TG-DTG)分析结果确定两种非晶态镍硼酸盐的分子组成分别为NiO·0.8B2O3·4.5H2O和NiO·B2O3·3H2O.激光拉曼(Raman)实验结果表明镍硼酸盐样品中主要存在的硼氧阴离子为B3O3(OH)52-和B2O(OH)62-.同步辐射扩展X射线吸收精细结构(EXAFS)方法对样品进行结构解析,通过数据拟合给出样品中Ni原子周围近邻配位原子种类、配位数以及原子间距离.用不同晶体结构作为标准对两种非晶态镍硼酸盐进行拟合的结果表明,样品中Ni原子周围局域结构与Ni3B2O6晶体(ICSD No.31387)中的吻合较好.Ni原子周围配位原子为O、B和Ni,对于NiO·0.8B2O3·4.5H2O,配位数分别为5.7、3.8和3.8,配位距离分别为0.208、0.263和0.311 nm;对于NiO·B2O3·3H2O,配位数分别为6.0、4.0和4.0,配位距离分别为0.207、0.262和0.310 nm. 展开更多
关键词 硼酸镍 氢氧化镍 扩展X射线吸收精细结构 局域结构 配位原子
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荧光EXAFS研究镶嵌在SiO_2中的Ge纳米晶的局域结构 被引量:1
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作者 闫文盛 孙治湖 +1 位作者 A.V.Kolobov 韦世强 《核技术》 EI CAS CSCD 北大核心 2006年第9期646-649,共4页
用荧光扩展X射线吸收精细结构(EXAFS)研究了磁控溅射法制备的镶嵌在SiO_2中的Ge纳米晶的局域结构。结果表明,在Ge的摩尔分数为25%和60%的初始样品中,Ge原子主要是以非晶GeO_2和Ge物相存在,其中在Ge的摩尔分数为25%的样品中,以GeO_2物相... 用荧光扩展X射线吸收精细结构(EXAFS)研究了磁控溅射法制备的镶嵌在SiO_2中的Ge纳米晶的局域结构。结果表明,在Ge的摩尔分数为25%和60%的初始样品中,Ge原子主要是以非晶GeO_2和Ge物相存在,其中在Ge的摩尔分数为25%的样品中,以GeO_2物相为主。经1073K退火后,样品中生成了Ge纳米晶。在Ge的摩尔分数为25%的样品中,Ge纳米晶只是来源于初始样品中的非晶Ge,而在Ge的摩尔分数为60%的样品中Ge纳米晶除了来源于初始样品中的非晶Ge外还来自于部分GeO_2。进一步分析表明在Ge的摩尔分数为60%的样品中,有摩尔分数为20%的GeO_2与来自衬底的Si发生还原反应生成Ge纳米晶。 展开更多
关键词 扩展X射线吸收精细结构 Ge纳米晶 局域结构
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含US-SSY分子筛的Ni-W-γ-Al_2O_3体系的EXAFS研究 被引量:1
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作者 韩继红 顾昌鑫 +6 位作者 华中一 徐卫 张健 李全芝 谢亚宁 胡天斗 巨新 《真空科学与技术》 EI CAS CSCD 北大核心 1998年第1期1-6,共6页
运用EXAFS技术分别对含有自冷和急冷US-SSY分子筛的Ni-W-γ-Al_2O_3样品中的w的LⅢ吸收边和Ni的K吸收边进行了结构分析。结果表明分子筛超稳化后的冷却速率对样品中原子的局域结构有影响,进而影响了样品的催化活性。急冷样品中W的... 运用EXAFS技术分别对含有自冷和急冷US-SSY分子筛的Ni-W-γ-Al_2O_3样品中的w的LⅢ吸收边和Ni的K吸收边进行了结构分析。结果表明分子筛超稳化后的冷却速率对样品中原子的局域结构有影响,进而影响了样品的催化活性。急冷样品中W的分散度比自冷样品差,其八面体结构含量较高,并有钨钼氧原子簇产生。但急冷催化样品中Ni具有较高的分散度,Ni-W间距小,较易形成“Ni-O-W”物种。由于八面体结构中的氧在加氢脱硫反应中较易被硫取代,且“Ni-O-W”物种是HDS反应的活性前驱体,导致急冷样品具有较高的HDS活性。加快分子筛超稳化后的冷却速率可提高催化剂样品的活性。 展开更多
关键词 分子筛 US-SSY 催化剂 exafs研究
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用EXAFS研究pH对Zn(Ⅱ)-TiO_2体系吸附和微观构型的影响
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作者 高爽 陈灏 +1 位作者 何广智 潘纲 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2009年第12期2439-2444,共6页
应用延展X射线吸收精细结构(EXAFS)方法,研究了不同pH对Zn(Ⅱ)在锐钛矿型TiO2表面吸附产物的微观构型的影响.宏观的吸附-解吸实验表明,随着pH值由5.8增大至6.8,吸附等温线明显升高,Freundlich吸附常数由1.345L/g增加到15.385L/g;而体系... 应用延展X射线吸收精细结构(EXAFS)方法,研究了不同pH对Zn(Ⅱ)在锐钛矿型TiO2表面吸附产物的微观构型的影响.宏观的吸附-解吸实验表明,随着pH值由5.8增大至6.8,吸附等温线明显升高,Freundlich吸附常数由1.345L/g增加到15.385L/g;而体系的不可逆性逐渐降低,不可逆吸附系数(TⅡ)由0.43降低到0.23.不同pH条件下吸附样品的EXAFS结果表明,Zn(Ⅱ)主要通过共用水合离子及TiO2表面的O原子结合到TiO2表面上,第一配位层(Zn—O层)原子间距和配位数随着pH值增大逐渐降低,Zn(Ⅱ)在TiO2表面吸附形态从六配位向四配位转化;第二配位层(Zn—Ti层)分析结果表明,存在2个典型的Zn—Ti原子间距,即R1=0.319~0.334nm(双齿方式结合的强吸附)和R2=0.366~0.378nm(单齿方式结合的弱吸附),随着pH值的升高,强吸附位(CN1)逐渐减少而弱吸附位(CN2)逐渐增加,其比值由2.12降低至0.89,从而导致其在高pH值的条件下吸附量和可逆性明显增大.EXAFS结果从分子水平说明了该体系在不同pH值条件下表现出的可逆性差异是由于微观吸附状态不同所致. 展开更多
关键词 延长X射线吸收精细结构 PH 吸附可逆性 Zn(Ⅱ)
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YBCO中氧原子近邻结构的温度相关性的EXAFS研究
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作者 韩继红 顾昌鑫 华中一 《真空科学与技术》 EI CSCD 北大核心 1997年第3期183-189,共7页
运用定向EXAFS(E‖a)技术对高温超导材料YBa2Cu3O7-δ在不同温度下氧原子的K吸收边进行了分析,获得了材料温度从77K到105K的EXAFS信息,发现在整个温度变化过程中,O-Cu原子对的平均间距未发生改变,但表征其键长有效涨落的德拜-... 运用定向EXAFS(E‖a)技术对高温超导材料YBa2Cu3O7-δ在不同温度下氧原子的K吸收边进行了分析,获得了材料温度从77K到105K的EXAFS信息,发现在整个温度变化过程中,O-Cu原子对的平均间距未发生改变,但表征其键长有效涨落的德拜-瓦勒因子有一个稳定的增长。 展开更多
关键词 氧化钇钡铜 YBCO 温度相关 超导体 高TC
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XAFS Study of Coordination Structure of Cu(L-His)2 in Solution
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作者 潘妍 张立云 刘扬中 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第4期451-456,I0004,共7页
Multiple coordination modes are present copper coordination environment varies in the CuII-histidine complex in solution and the with pH. In this work, we have investigated the coordination geometry of Cu(His)2 comp... Multiple coordination modes are present copper coordination environment varies in the CuII-histidine complex in solution and the with pH. In this work, we have investigated the coordination geometry of Cu(His)2 complex using X-ray absorption fine structure (XAFS) analysis. Copper K-edge XAFS spectra were acquired on aqueous Cu2+ samples with his- tidine at different pH values. The coordination environments were further confirmed by chemically modified histidine. Results show that the caboxylate groups coordinate at acidic condition, while amino and imidazole nitrogens get coordinated at higher pH. For the co- ordination geometry of Cu(His)2 in solution at physiological pH, the sixfold coordination is preferentially formed, while the fivefold coordination can co-exist in equilibrium. 展开更多
关键词 x-ray absorption fine structure Coordination structure COPPER Histidine Chemical modification PH
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Oxidation of antimony (Ⅲ) in soil by manganese (Ⅳ) oxide using X-ray absorption fine structure 被引量:5
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作者 Lei Fu Katsumi Shozugawa Motoyuki Matsuo 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2018年第11期31-37,共7页
The oxidation of antimony (Ⅲ) in soils was studied using X-ray absorption fine structure (XAFS) spectra. An andosol soft sample and artificial soil samples (SiO2 blended with iron (Ⅲ) hydroxide and manganese... The oxidation of antimony (Ⅲ) in soils was studied using X-ray absorption fine structure (XAFS) spectra. An andosol soft sample and artificial soil samples (SiO2 blended with iron (Ⅲ) hydroxide and manganese (Ⅳ) oxide) were used herein. After adding antimony (Ⅲ) oxide to all soil samples, the oxidation process was observed by recording the XAFS spectra of Sb K-edge, Fe Kedge, and Mn K-edge. The results indicated that manganese (Ⅳ) oxide played an important role in the oxidation of Sb(Ⅲ); however iron (Ⅲ) hydroxide was not directly related to the reaction. During a 2-hr continuous Sb K-edge X-ray absorption near edge structure (XANES) measurement with an interval of I rain of one of the artificial soil samples (SiO2 + MnO2 + Sb2O3), a pseudo-first-order reaction was determined with an average estimated rate of 0.52 ±0.04 hr-1. Compared to the lower oxidation rate of andosol, it is suggested that because of the low concentration of Mn(Ⅳ) in natural soils, the oxidation process of Sb(Ⅲ) might be relatively slow and require more time to convert Sb(Ⅲ) to Sb(V). 展开更多
关键词 SOIL ANTIMONY OXIDATION Manganese (Ⅳ) oxide x-ray absorption fine structure (XAFS)
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Structure and chemical valence study of Sr_(n+1)Ru_nO_(3n+1)(n= 1, 2, ∞) series
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作者 郑龙 朱小芹 +3 位作者 眭永兴 薛建忠 刘波 裴明旭 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第5期428-432,共5页
Effect of structure parameter n and its coupling with the connection mode among RuO6 octahedra of Srn+1RUnO3n+1 (n = 1, 2, ∞) are investigated. The gradually enhanced rotation and tilting effect with increasing n... Effect of structure parameter n and its coupling with the connection mode among RuO6 octahedra of Srn+1RUnO3n+1 (n = 1, 2, ∞) are investigated. The gradually enhanced rotation and tilting effect with increasing n are observed in Srn+1RUnO3n+1. Besides, the chemical valence of Ru is not changed, while the one of Sr gradually varies with increasing n, which highlights the great contribution of connection mode to the chemical environment. Our results show a strong n dependence on the connection mode between octahedra in Srn+1RUnO3n+1 (n = 1, 2, ∞). 展开更多
关键词 RUTHENATES structure parameter x-ray diffraction extended x-ray absorption fine structure
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X-ray Spectroscopically Probing Mo_(2)C@MoSe_(2)Heterojunction Electrodes
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作者 CAO Yu-yang WEI Shi-qiang +5 位作者 JIANG Wei Peter Joseph Chimtali YAN Zi-wei ZHOU Quan CHEN Shuang-ming SONG Li 《分析测试学报》 CAS CSCD 北大核心 2024年第10期1618-1625,共8页
Due to their high electrical conductivity and layered structure,two dimensional MXene materials are re⁃garded as promising candidates for energy storage applications.However,the relatively low stability and specific c... Due to their high electrical conductivity and layered structure,two dimensional MXene materials are re⁃garded as promising candidates for energy storage applications.However,the relatively low stability and specific ca⁃pacity of MXene materials limit their further utilization.In this study,these issues are addressed using a heterostruc⁃ture strategy via a one-step selenization method to form Mo_(2)C@MoSe_(2).Synchrotron radiation X-ray spectroscopic and high-resolution transmission electron microscopy(HRTEM)characterizations revealed the heterostructure consisting of in-situ grown MoSe_(2)on Mo_(2)C MXene.Electrochemical tests proved the heterojunction electrode’s superior rate perfor⁃mance of 289.06 mAh·g^(-1)at a high current density of 5 A·g^(-1)and long cycling stability of 550 mAh·g^(-1)after 900 cycles at 1 A·g^(-1).This work highlights the useful X-ray spectroscopic analysis to directly elucidate the heterojunction structure,providing an effective reference method for probing heterostructures. 展开更多
关键词 x-ray spectroscopic MXene HETEROJUNCTION x-ray absorption fine structure lithium-ion batteries
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Structural control of magnetic nanoparticles for positive nuclear magnetic resonance imaging
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作者 Zulaikha Ali Yunfei Zhang +5 位作者 Michael GKaul Billy Truong Deepika Bhanot Gerhard Adam Yuan-Yuan Li He Wei 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第10期17-28,共12页
In addition to the tens of millions of medical doses consumed annually around the world,a vast number of nuclear magnetic resonance imaging(MRI)contrast agents are being deployed in MRI research and development,offeri... In addition to the tens of millions of medical doses consumed annually around the world,a vast number of nuclear magnetic resonance imaging(MRI)contrast agents are being deployed in MRI research and development,offering precise diagnostic information,targeting capabilities,and analyte sensing.Superparamagnetic iron oxide nanoparticles(SPIONs)are notable among these agents,providing effective and versatile MRI applications while also being heavy-metal-free,bioconjugatable,and theranostic.We designed and implemented a novel two-pronged computational and experimental strategy to meet the demand for the efficient and rigorous development of SPION-based MRI agents.Our MATLAB-based modeling simulation and magnetic characterization revealed that extremely small maghemite SPIONs in the 1-3 nm range possess significantly reduced transversal relaxation rates(R_(2))and are therefore preferred for positive(T_(1)-weighted)MRI.Moreover,X-ray diffraction and X-ray absorption fine structure analyses demonstrated that the diffraction pattern and radial distribution function of our SPIONs matched those of the targeted maghemite crystals.In addition,simulations of the X-ray near-edge structure spectra indicated that our synthesized SPIONs,even at 1 nm,maintained a spherical structure.Furthermore,in vitro and in vivo MRI investigations showed that our 1-nm SPIONs effectively highlighted whole-body blood vessels and major organs in mice and could be cleared through the kidney route to minimize potential post-imaging side effects.Overall,our innovative approach enabled a swift discovery of the desired SPION structure,followed by targeted synthesis,synchrotron radiation spectroscopic studies,and MRI evaluations.The efficient and rigorous development of our high-performance SPIONs can set the stage for a computational and experimental platform for the development of future MRI agents. 展开更多
关键词 Magnetic nanoparticles structure control Nuclear magnetic resonance imaging Modeling simulation x-ray absorption fine structure
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Theoretical characterization of the adsorption configuration of pyrrole on Si(100)surface by x-ray spectroscopy
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作者 李好情 明静 +3 位作者 姜志昂 李海波 马勇 宋秀能 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期430-435,共6页
The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS s... The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments. 展开更多
关键词 PYRROLE silicon surface x-ray photoelectron spectroscopy(XPS) near-edge x-ray absorption fine structure(Nexafs)
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Relating atomic local structures and Curie temperature of NdFeB permanent magnets:an X-ray absorption spectroscopic study 被引量:3
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作者 Mu-Nan Yang Hang Wang +3 位作者 Yong-Feng Hu Liu-Yi-Mei Yang Aimee Maclennan Bin Yang 《Rare Metals》 SCIE EI CAS CSCD 2018年第11期983-988,共6页
Relationship between atomic local structures and Curie temperature of NdFeB permanent magnets was investigated semi-quantitatively using synchrotron radiation technique. Fe K-edge X-ray absorption spectroscopy(XAS) wa... Relationship between atomic local structures and Curie temperature of NdFeB permanent magnets was investigated semi-quantitatively using synchrotron radiation technique. Fe K-edge X-ray absorption spectroscopy(XAS) was employed to study the local structure of Fe atoms for samples before and after doping Dy, Tb or Gd. It is found that the bond lengths and coordination numbers are changed. Thus, the exchange interaction between Fe atoms increases with Dy, Tb or Gd doping, resulting in the improvement of Curie temperature of NdFeB permanent magnets. The doping effect is proven by experimental measurement of the magnetic properties. Microstructural characterization using scanning electron microscopy(SEM) was also used to further analyze the effect of different rare earth elements doping on Curie temperature of NdFeB permanent magnets. 展开更多
关键词 Permanent magnet Synchrotron radiation x-ray absorption fine structure Crystal structure Curie temperature
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金属叶绿素a配位结构的研究 被引量:19
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作者 洪法水 魏正贵 +4 位作者 赵贵文 陶冶 胡天斗 刘涛 谢亚宁 《生物化学与生物物理进展》 SCIE CAS CSCD 北大核心 2001年第3期381-386,共6页
在丙酮溶液中合成得到镧 叶绿素a、钐 叶绿素a和铜 叶绿素a复合物 ,并研究了它们的紫外可见光谱(UV Vis)、Fourier红外光谱 (FT IR)和EXAFS结构 .镧 叶绿素a、钐 叶绿素a和铜 叶绿素a的UV Vis谱、FT IR谱与叶绿素a (含镁 )的光谱性... 在丙酮溶液中合成得到镧 叶绿素a、钐 叶绿素a和铜 叶绿素a复合物 ,并研究了它们的紫外可见光谱(UV Vis)、Fourier红外光谱 (FT IR)和EXAFS结构 .镧 叶绿素a、钐 叶绿素a和铜 叶绿素a的UV Vis谱、FT IR谱与叶绿素a (含镁 )的光谱性质相似 ,但与脱镁叶绿素a的光谱性质差异很大 .证明了La3+、Sm3+、Cu2 +已配位到脱镁叶绿素的卟啉环上 ,形成了镧 叶绿素a、钐 叶绿素a和铜 叶绿素a复合物 .通过扩展X射线吸收精细结构谱 (EXAFS)研究表明 :合成镧 叶绿素a、钐 叶绿素a具有双层夹心结构 .La (Ⅲ )、Sm (Ⅲ )夹于两个卟啉环之间 ,与上下卟啉环上共八个N原子配位 ,La N平均键长 0 2 6 1nm ,Sm N平均键长 0 2 43nm ,而铜 叶绿素a的EXAFS表明为一单层结构 ,Cu (Ⅱ )与卟啉环中的四个N原子配位 ,Cu N平均键长0 197nm .元素分析也证明镧 叶绿素a、钐 叶绿素a为双层结构 ,铜 叶绿素a为单层结构 . 展开更多
关键词 金属叶绿素a exafs 分子结构 配位结构
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锐钛矿型纳米TiO_2粉体的精细结构及其光催化降解苯酚的活性 被引量:14
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作者 杨儒 李敏 +3 位作者 张敬畅 曹维良 胡天斗 张静 《催化学报》 SCIE CAS CSCD 北大核心 2003年第8期629-634,共6页
以Ti(SO4 ) 2 ·4H2 O和尿素为原料 ,以聚乙二醇 10 0 0为空间构造剂 ,制备了不同粒径的具有高热稳定性的锐钛矿型纳米TiO2 粉体 ,并用XRD ,BET和EXAFS技术对其晶相、粒径大小、比表面积及中心Ti原子的K 边精细结构进行了表征 ,对... 以Ti(SO4 ) 2 ·4H2 O和尿素为原料 ,以聚乙二醇 10 0 0为空间构造剂 ,制备了不同粒径的具有高热稳定性的锐钛矿型纳米TiO2 粉体 ,并用XRD ,BET和EXAFS技术对其晶相、粒径大小、比表面积及中心Ti原子的K 边精细结构进行了表征 ,对其光催化降解苯酚反应的活性进行了考察 .结果表明 ,未经任何热处理的TiO2 粉体即为锐钛矿型晶相 ,控制焙烧温度可以达到控制其粒径及比表面积的目的 .经 85 0℃焙烧 5h的样品仍保持锐钛矿型晶相 ,未出现向金红石型晶相转变的迹象 .随着纳米TiO2 晶粒的增大 ,Ti原子局域结构的有序度增强 ,边前结构A1,A2 和A3 三个特征峰的强度增强 ,各壳层的配位数均呈增大的趋势 .粒径处于 15~ 2 0nm的锐钛矿型TiO2 粉体对光催化降解苯酚表现出较高的活性 . 展开更多
关键词 锐钛矿 二氧化钛 苯酚 光催化降解 扩展X射线衍射精细结构
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室温下纳米氧化锌新相的合成及表征 被引量:6
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作者 杨青林 郭林 +3 位作者 吴中华 江雷 徐文国 李前树 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2003年第1期82-85,共4页
常温常压下 ,用高分子聚乙烯吡咯烷酮 ( PVP)作为表面修饰剂 ,成功地合成了粒度分布窄、平均粒度为 4 .0 nm的氧化锌纳米微粒 ,其晶体结构与文献报道在高温高压 ( 4 5 0℃ ,6× 1 0 8Pa)下合成的体相 Zn O具有相同结构 .EXAFS实验... 常温常压下 ,用高分子聚乙烯吡咯烷酮 ( PVP)作为表面修饰剂 ,成功地合成了粒度分布窄、平均粒度为 4 .0 nm的氧化锌纳米微粒 ,其晶体结构与文献报道在高温高压 ( 4 5 0℃ ,6× 1 0 8Pa)下合成的体相 Zn O具有相同结构 .EXAFS实验结果表明 ,纳米 Zn—O的键长比体相发生收缩 ,Zn原子周围的氧配位数减少 . 展开更多
关键词 氧化锌 合成 表征 ZNO 纳米微粒 X射线衍射 扩展X射线吸收精细结构 半导体
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