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偏离朗伯比尔定律NaCl水溶液的红外光谱合成 被引量:5
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作者 姚蒙 王海水 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2021年第1期65-70,共6页
氯化钠水溶液中,水分子之间的氢键相互作用随氯化钠浓度变化而发生改变,导致不同浓度的水溶液光谱形状也不同,因此NaCl溶液的光谱不满足朗伯比尔定律。如果浓度c与吸光率A不满足朗伯比尔定律,则利用光谱差减技术扣除溶剂水的吸收峰问题... 氯化钠水溶液中,水分子之间的氢键相互作用随氯化钠浓度变化而发生改变,导致不同浓度的水溶液光谱形状也不同,因此NaCl溶液的光谱不满足朗伯比尔定律。如果浓度c与吸光率A不满足朗伯比尔定律,则利用光谱差减技术扣除溶剂水的吸收峰问题就会遇到瓶颈,差减效果不能令人满意。利用二元线性回归分析法和双边夹原理合成杂化光谱,期望在偏离朗伯比尔定律体系,可以理论上获得各种浓度的NaCl水溶液的杂化光谱,并且保证杂化光谱与其代表的真实光谱高度相似。主要结论如下:(1)浓度c1和c2的NaCl水溶液的红外光谱分别为Ac1和Ac2,则浓度介于c1和c2之间的溶液光谱,均可用Ahc(c1,c2)=aAc1+bAc2来表示。Ahc(c1,c2)与浓度为c(c1<c<c2)的溶液的真实光谱Ac高度类似。(2)c2和c1间隔越小,杂化光谱Ahc(c1,c2)与真实光谱Ac的相似度越高,因此可根据精度要求选择合适的Ac1和Ac2来拟合Ahc。(3)杂化光谱Ahc(2%,30%)=aA2%+bA30%,适用浓度区间2%~30%,涵盖浓度范围宽,效果令人满意。(4)回归系数a和b与浓度c关系为a=-3.592c+1.0589,b=3.565c-0.05515。在2%~30%浓度范围内,选取浓度c数值,即可获得相应回归系数a和b,再将a和b代入方程Ahc(2%,30%)=aA2%+bA30%,即可获得NaCl水溶液的杂化光谱。杂化光谱与相对应的真实光谱高度近似,Ahc(2%, 30%)≈Ac,完全可替代真实光谱。 展开更多
关键词 NACL水溶液 朗伯比尔定律 线性回归分析 杂化光谱
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基于线性回归分析法获得NaCl水溶液红外光谱 被引量:2
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作者 姚蒙 王海水 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2020年第S01期27-28,共2页
如果样品浓度与光谱吸光率不满足朗伯比耳定律,则获得一系列不同浓度的样品的红外光谱通常需要逐个采集,步骤繁琐。利用衰减全反射(ATR)附件、杂化光谱概念和线性回归分析法,实现不制备样品就可以获得相应样品的红外光谱的目标,操作简单... 如果样品浓度与光谱吸光率不满足朗伯比耳定律,则获得一系列不同浓度的样品的红外光谱通常需要逐个采集,步骤繁琐。利用衰减全反射(ATR)附件、杂化光谱概念和线性回归分析法,实现不制备样品就可以获得相应样品的红外光谱的目标,操作简单,效果好。浓度为c2的氯化钠(NaCl)水溶液的红外杂化光谱由浓度为c1和c3的NaCl水溶液红外光谱杂化合成(c1<c2<c3)。将杂化光谱失真程度控制在一定范围内,就可获得任意浓度c2的杂化光谱,它与c2的真实光谱高度相似。 展开更多
关键词 ATR 杂化光谱 线性回归分析法 NACL水溶液
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双背景法扣除溶剂水峰及蛋白质热变性的研究
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作者 徐杨彪 王海水 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2022年第2期642-646,共5页
研究蛋白质水溶液的红外光谱(IR)谱时,由于溶剂水的强吸收与蛋白质的吸收峰会发生严重重叠,极大地干扰对蛋白质吸收峰的识别、定性、定量和结构分析。尝试利用杂化光谱法扣除溶剂水峰。采用双背景方法,用空白ATR晶体(背景样品1)与ATR水... 研究蛋白质水溶液的红外光谱(IR)谱时,由于溶剂水的强吸收与蛋白质的吸收峰会发生严重重叠,极大地干扰对蛋白质吸收峰的识别、定性、定量和结构分析。尝试利用杂化光谱法扣除溶剂水峰。采用双背景方法,用空白ATR晶体(背景样品1)与ATR水层(背景样品2)合成了单光束杂化背景谱,通过控制对背景样品1和背景样品2的扫描次数,合成的单光束杂化背景谱中水的信号强度可任意调节,成功实现了牛血清白蛋白(BSA)水溶液中溶剂峰的在线扣除。与光谱差减技术比较,杂化光谱扣除法具有显著的优势:水3400 cm^(-1)峰强度接近于零,1700~1800 cm^(-1)区间得到近似平滑直线,水1640 cm^(-1)峰彻底扣除,观察到了高质量的酰胺I带吸收峰。将杂化谱法获得BSA红外光谱二次微分,得到蛋白质二级结构大量信息,与文献报道高度吻合。杂化光谱法应用到蛋白质热变性研究中,成功获得没有溶剂水峰干扰的蛋白质红外光谱,变性前后,酰胺Ⅰ带光谱发生明显改变,峰形变化显著,吸收峰往低波数方向移动,吸收强度显著减小。杂化光谱ATR法扣除溶剂水峰简单、易操作、效果令人满意。 展开更多
关键词 牛血清蛋白水溶液 溶剂水峰 杂化光谱 双背景
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Preparation and Photocatalytic Activity of Ce, H3PW12O40 co-doped TiO2 Hollow Fibers 被引量:3
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作者 Shu-hua Yao Shuang Chen Zhong-liang Shi 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第3期343-349,共7页
A series of Ce, H3PW12O40 co-doped TiO2 hollow fibers photocatalysts have been prepared by sol-gel method using ammonium ceric nitrate, H3PW12O40 and tetrabutyltitanate as precursors and cotton fibers as template, fol... A series of Ce, H3PW12O40 co-doped TiO2 hollow fibers photocatalysts have been prepared by sol-gel method using ammonium ceric nitrate, H3PW12O40 and tetrabutyltitanate as precursors and cotton fibers as template, followed by calcination at 500 ℃ in N2 atmosphere for 2 h. Scanning electron microscopy, X-ray diffraction, nitrogen adsorption-desorption mea- surements, and UV-Vis spectroscopy are employed to characterize the morphology, crystal structure, surface structure, and optical absorption properties of the samples. The photo- catalytic performance of the samples has been studied by photodegradation phenol in water under UV and visible light irradiation. The results show that the TiO2 fiber materials have hollow structures, and the co-doped TiO2 hollow fibers exhibit higher photocatalytic activities for the degradation of phenol than un-doped, single-doped TiO2 hollow fibers under UV and visible light. In addition, the recyclability of co-doped TiO2 fibers is also confirmed that the TiO2 fiber retains ca. 90% of its activity after being used four times. It is shown that the co-doped TiO2 fibers can be activated by visible light and may be potentially applied to the treatment of water contaminated by organic pollutants. The synergistic effect of Ce and H3PW12O40 co-doping plays an important role in improving the photocatalytic activity. 展开更多
关键词 TiO2 hollow fibers Ce and H3PW12O40 co-doping Photocatalytic activity Template method PHENOL
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Synthesis of Nitrogen-Doped Graphene via Thermal Annealing Graphene with Urea 被引量:3
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作者 Xin-jing Li Xin-xin Yu +5 位作者 Jin-yang Liu Xiao-dong Fan Kun Zhang Hong-bing Cai Nan Pan Xiao-ping Wang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第3期325-329,374,共6页
Chemical doping is an effective method to intrinsically modify the chemical and electronic property of graphene. We propose a novel approach to synthesize the nitrogen-doped graphene via thermal annealing graphene wit... Chemical doping is an effective method to intrinsically modify the chemical and electronic property of graphene. We propose a novel approach to synthesize the nitrogen-doped graphene via thermal annealing graphene with urea, in which the nitrogen source can be controllably released from the urea by varying the annealed temperature and time. The doped N content and the configuration N as well as the thermal stabilities are also evaluated with X-ray photoelectron spectroscopy and Raman spectra. Electrical measurements indi- cate that the conductivity of doped graphene can be well regulated with the N content. The method is expected to produce large scale and controllable N-doped graphene sheets for a variety of potential applications. 展开更多
关键词 GRAPHENE DOPING CONDUCTIVITY X-ray photoelectron spectroscopy Ramanspectrum
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Novel Face Recognition Method by Combining Spatial Domain and Selected Complex Wavelet Features 被引量:1
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作者 张强 蔡云泽 许晓鸣 《Journal of Donghua University(English Edition)》 EI CAS 2011年第3期285-290,共6页
A novel face recognition method based on fusion of spatial and frequency features was presented to improve recognition accuracy. Dual-Tree Complex Wavelet Transform derives desirable facial features to cope with the v... A novel face recognition method based on fusion of spatial and frequency features was presented to improve recognition accuracy. Dual-Tree Complex Wavelet Transform derives desirable facial features to cope with the variation due to the illumination and facial expression changes. By adopting spectral regression and complex fusion technologies respectively, two improved neighborhood preserving discriminant analysis feature extraction methods were proposed to capture the face manifold structures and locality discriminatory information. Extensive experiments have been made to compare the recognition performance of the proposed method with some popular dimensionality reduction methods on ORL and Yale face databases. The results verify the effectiveness of the proposed method. 展开更多
关键词 face recognition neighborhood preserving discriminant analysis spectral regression complex fusion Dual-Tree Complex Wavelet Transform feature selection
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Structural insights of mechanically induced aluminum-doped hydroxyapatite nanoparticles by Rietveld refinement
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作者 Abbas Fahami Bahman Nasiri-Tabrizi +1 位作者 Gary W. Beall Wan Jefrey Basirun 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2017年第2期238-247,共10页
Aluminum doped hydroxyapatite (HA:AI3 +) nanopowders were successfully prepared via a simple and efficient one-pot mechanochemical route. The effects of dopant loading on phase compositions and structural features... Aluminum doped hydroxyapatite (HA:AI3 +) nanopowders were successfully prepared via a simple and efficient one-pot mechanochemical route. The effects of dopant loading on phase compositions and structural features were assessed by Rietveld analysis. The XRD-Rietveld refinement revealed the stabilization of HA in hexagonal structure for all the samples. The sharpness and intensity of the apatite-derived XRD peaks decreased as the dopant content increased to 10% due to the increase in lattice imperfections and mechanically induced amorphization. The incorpo- ration of A13 + into the HA lattice decreased the unit cell parameters. From the FfiR measurements, the representing bands of apatite were identified in all cases. The mechanosynthesized nanopowders consisted of nanospheroids with an average size of 44 - 20 nm and therefore are promising for bone tissue regeneration. 展开更多
关键词 SynthesisIon exchangeMechanochemicalRietveld refinement
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Synthesis and Properties of Mg-doped ZnO Nanobelts
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作者 LIU Hang ZHUANG Hui-zhao XUE Cheng-shan WANG Jie LI Jun-lin 《Semiconductor Photonics and Technology》 CAS 2009年第4期225-228,251,共5页
The chemical vapor deposition(CVD)growth method is applicable to produce high-yield single-crystalline ZnO nanobelts.The Mg-doped ZnO nanobelts with a smooth surface have been successfully synthesized.The morphology,m... The chemical vapor deposition(CVD)growth method is applicable to produce high-yield single-crystalline ZnO nanobelts.The Mg-doped ZnO nanobelts with a smooth surface have been successfully synthesized.The morphology,microstructure and optical properties of the ZnO nanobelts were analyzed by X-ray diffraction(XRD),scanning electron microscope(SEM),transmission electron microscope(TEM),selective area electron diffraction(SAED),energy dispersive X-ray spectroscopy(EDS)and photoluminescence(PL)spectroscopy.Results reveal that the ZnO nanobelts possess good crystalline quality.The special formation mechanism of crystal growth is discussed,emphasizing the effect of polar orientation on the nucleation and growth of the ZnO nanobelts. 展开更多
关键词 Mg-doped ZnO nanobelts chemical vapour deposition method of crystal growth
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In situ surface-doped PtNiCoRh nanocrystals promote electrooxidation of C_(1) fuels 被引量:2
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作者 Wei Wang Xuejiao Chen +5 位作者 Jinyu Ye Yuhui Zhang Yanchen Han Xiaowei Chen Kai Liu Shuifen Xie 《Science China Materials》 SCIE EI CAS CSCD 2021年第5期1139-1149,共11页
Heteroatom-doped Pt-based nanocrystals have generated considerable interest and hold great prospects in heterocatalysis. However, engineering the superficial atomic configurations of these nanocrystals via in situ sur... Heteroatom-doped Pt-based nanocrystals have generated considerable interest and hold great prospects in heterocatalysis. However, engineering the superficial atomic configurations of these nanocrystals via in situ surface doping remains exceedingly challenging. Herein, we propose a onepot, in situ surface doping chemical synthesis protocol to prepare quatermetallic Pt Ni Co Rh dendritic nanocrystals as versatile and active catalysts for the electrooxidation of C_(1) fuels. Leveraging the selective coordination effect between ascorbic acid and Rh^(3+)ions, the doping of trace Rh atoms can be guided specifically at the near-surface of Pt Ni Co Rh nanocatalysts. Electrocatalytic tests indicate that Pt_(67)Ni_(16)Co_(16)Rh_(1) nanocrystals with in situ trace Rh-doped surface exhibit substantially enhanced activity, durability, and CO tolerance for the electrooxidation of methanol, formaldehyde, and formic acid. In situ Fourier transform infrared spectroscopy provides molecular-level insight into the exceptional performance of these nanocatalysts. The surface incorporation of anticorrosive Rh atoms enables the transfer of CO intermediates from the atop Pt sites to the bridged Rh–Pt surface sites,thereby facilitating the elimination of these poisoning species from the catalyst surface. This study presents an effective in situ surface doping strategy which can enable the design of more atom-economic heterocatalysts. 展开更多
关键词 Pt-based nanocatalyst in situ surface doping Rh–Pt interatomic sites electrooxidation of C_(1)fuels quatermetallic nanocrystals
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Single step fabrication of N-doped graphene/Si3N4/SiC heterostructures 被引量:1
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作者 Emilio Velez-Fort Emiliano Pallecchi +5 位作者 Mathieu G. Silly Mounib Bahri Gilles Patriarche Abhay Shukla Fausto Sirotti Abdelkarim Ouerghi 《Nano Research》 SCIE EI CAS CSCD 2014年第6期835-843,共9页
In-plane heteroatom substitution of graphene is a promising strategy to modify its properties. The ability to dope graphene with electron-donor nitrogen heteroatoms is highly important for modulating electrical proper... In-plane heteroatom substitution of graphene is a promising strategy to modify its properties. The ability to dope graphene with electron-donor nitrogen heteroatoms is highly important for modulating electrical properties of graphene. Here we demonstrate a transfer-free method to directly grow large area quasi free-standing N-doped graphene bilayers on an insulating substrate (Si3N4). Electron-bombardment heating under nitrogen flux results in simultaneous growth of N-doped graphene and a Si3N4 layer on the SiC surface. The decoupling of N-doped graphene from the substrate and the presence of Si3N4 are identified by X-ray photoemission spectroscopy and low-energy electron diffraction. The substitution of nitrogen atoms in the graphene planes was confirmed using high resolution X-ray photoemission spectroscopy which reveals several atomic configurations for the nitrogen atoms: Graphitic-like, pyridine-like, and pyrrolic- like. Furthermore, we demonstrated for the first time that N-doped graphene could be used to efficiently probe oxygen molecules via nitrogen atom defects. 展开更多
关键词 epitaxial graphene spectroscopy nitrogen-doped graphene low-energy electronmicroscopy electronic properties
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