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Chemical Enhancement on Surface-Enhanced Resonance Raman Scattering of Au3-1,4-BenzenedithioI-Au3 Junction
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作者 赵秀明 田小锐 +2 位作者 刘莎莎 李源作 陈茂笃 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第6期665-671,I0003,共8页
Surface-enhanced Raman scattering (SERS) and surface-enhanced resonance Raman scattering (SERRS) spectra of the 1,4-benzenedithiol molecule in the junction of two Au3 clusters have been calculated using density fu... Surface-enhanced Raman scattering (SERS) and surface-enhanced resonance Raman scattering (SERRS) spectra of the 1,4-benzenedithiol molecule in the junction of two Au3 clusters have been calculated using density functional theory (DFT) and time-dependent DFT method. In order to investigate the contribution of charge transfer (CT) enhancement, the wavelengths of incident light are chosen to be at resonance with four representative excited states, which correspond to CT in four different forms. Compared with SERS spectrum, SERRS spectra are enhanced enormously with distinct enhancement factors, which can be attributed to CT resonance in different forms. 展开更多
关键词 surface-enhanced raman scattering 1 4-Benzenedithiol molecule Surfaceenhanced resonance raman scattering Charge transfer
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Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules 被引量:2
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作者 周增会 刘力 +1 位作者 王桂英 徐至展 《Chinese Physics B》 SCIE EI CAS CSCD 2006年第1期126-131,共6页
Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescen... Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured. 展开更多
关键词 single-molecule spectroscopy surface-enhanced resonance raman scattering spectral polarization Poisson distribution
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Resonance Raman Spectra of Purified PS Ⅱ Core Antenna Complexes CP43 and CP47 被引量:2
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作者 单际修 杨昆云 +7 位作者 冯丽洁 李良璧 匡廷云 王居硕 赵南明 刘玉龙 朱恪 杨国桢 《Acta Botanica Sinica》 CSCD 1999年第3期280-284,共5页
PSⅡ core antenna complexes, CP43 and CP47, were purified from spinach (Spinacia oleracea L.) by DEAE Fractogel TSK 650S anion exchange chromatography. Their normal temperature (298 K) resonance Raman spectra were... PSⅡ core antenna complexes, CP43 and CP47, were purified from spinach (Spinacia oleracea L.) by DEAE Fractogel TSK 650S anion exchange chromatography. Their normal temperature (298 K) resonance Raman spectra were measured. The results suggest that all β carotenoids bound to CP43 and CP47 are in all trans configuration and likely in twisted conformations. 展开更多
关键词 PSⅡ Core antenna complexes CP43 CP47 resonance raman spectrum β carotene
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Surface-enhanced Raman Scattering of Aflatoxin B1 on Silver by DFT Method
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作者 高思敏 王红艳 林月霞 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第2期131-136,I0003,共7页
The structure, electrostatic properties, and Raman spectra of aflatoxin B1 (AFB1) and AFB1-Ag complex are studied by density functional theory with B3LYP/6- 311G(d,p)/Lan12dz basis set. The results show that the s... The structure, electrostatic properties, and Raman spectra of aflatoxin B1 (AFB1) and AFB1-Ag complex are studied by density functional theory with B3LYP/6- 311G(d,p)/Lan12dz basis set. The results show that the surface-enhanced Raman scattering (SERS) and pre-resonance Raman spectra of AFB1-Ag complex strongly depend on the adsorption site and the excitation wavelength found to enhance 102-103 order compared to of the incident light. The SERS factors are normal Raman spectrum of AFB1 molecule due to the larger static polarizabilities of the AFB1-Ag complex, which directly results in the stronger chemical enhancement in SERS spectra. The pre-resonance Raman spectra of AFB1-Ag complex are explored at 266, 482, 785, and 1064 nm incident light wavelength, in which the enhancement factors are about 10^2-10^4, mainly caused by the charge-transfer excitation resonance. The vibrational modes are analyzed to explain the relationship between the vibrational direction and the enhanced Raman intensities. 展开更多
关键词 Aflatoxin B1 surface-enhanced raman scattering spectrum Pre-resonanceraman spectra Density functional theory
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The effect of an anti-hydrogen bond on Fermi resonance: A Raman spectroscopic study of the Fermi doublet v1-v12 of liquid pyridine 被引量:2
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作者 李东飞 高淑琴 +1 位作者 孙成林 里佐威 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第8期173-179,共7页
The effects of an anti-hydrogen bond on the v1 v12 Fermi resonance (FR) of pyridine are experimentally investigated by using Raman scattering spectroscopy. Three systems, pyridine/water, pyridine/formamide, and pyri... The effects of an anti-hydrogen bond on the v1 v12 Fermi resonance (FR) of pyridine are experimentally investigated by using Raman scattering spectroscopy. Three systems, pyridine/water, pyridine/formamide, and pyridine/carbon tetrachloride, provide varying degrees of strength for the diluent-pyridine anti-hydrogen bond complex. Water forms a stronger anti-hydrogen bond with pyridine than with formamide, and in the case of adding non-polar solvent carbon tetrachloride, which is neither a hydrogen bond donor nor an acceptor and incapable of forming a hydrogen bond with pyridine, the intermolecular distance of pyridine will increase and the interaction of pyridine molecules will reduce. The dilution studies are performed on the three systems. Comparing with the values of the Fermi coupling coefficient W of the ring breathing mode v1 and triangle mode v12 of pyridine at different volume concentrations, which are calculated according to the Bertran equations, in three systems, we find that the solution with the strongest anti-hydrogen bond, water, shows the fastest change in the v1-v12 Fermi coupling coefficient W with the volume concentration varying, followed by the formamide and carbon tetrachloride solutions. These results suggest that the stronger anti-hydrogen bond-forming effect will cause a greater reduction in the strength of the v1-v12 FR of pyridine. According to the mechanism of the formation of an anti-hydrogen bond in the complexes and the FR theory, a qualitative explanation for the anti-hydrogen bond effect in reducing the strength of the v1 - v12 FR of pyridine is given. 展开更多
关键词 Fermi resonance raman spectrum anti-hydrogen bond
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Comparison of Surface-enhanced Raman Scattering Spectra of Two Kinds of Silver Nanoplate Films
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作者 TAO Jin-long TANG Bin +2 位作者 XU Shu-ping PAN Ling-yun XU Wei-qing 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2012年第3期488-492,共5页
Surface-enhanced Raman scattering(SERS) spectra of different silver nanoplate selt-assembled tllmS at different excitation wavelengths were fairly compared. Shape conversion from silver nanoprisms to nanodisks on sl... Surface-enhanced Raman scattering(SERS) spectra of different silver nanoplate selt-assembled tllmS at different excitation wavelengths were fairly compared. Shape conversion from silver nanoprisms to nanodisks on slides was in situ carried out. The SERS spectra of 4-mercaptopyridine(4-MPY) on these anisotropic silver nanopar- ticle self-assembled films present that strong enhancement appeared when the excitation line and the surface plasmon resonance(SPR) band of silver substrate overlapped. In this model, the influence of the crystal planes of silver na- noplates on SERS enhancement could be ignored because the basal planes were nearly unchanged in two kinds of silver nanoplate self-assembled films. 展开更多
关键词 surface-enhanced raman scattering(SERS) Surface plasmon resonance(SPR) Shape-dependant Silvernanoprism Silver nanodisk
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A mini review and hypothesis for coronavirus detection using photonics: surface enhanced Raman scattering and fluorescence resonance energy transfer
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作者 Akshat Dharmeshkumar Modi Austin Tian Yang Akriti Sharma 《Infectious Diseases Research》 2023年第1期10-13,共4页
COVID-19 has devastated numerous nations around the world and has overburdened numerous healthcare systems,which has also caused the loss of livelihoods due to prolonged shutdowns and further led to a cascading effect... COVID-19 has devastated numerous nations around the world and has overburdened numerous healthcare systems,which has also caused the loss of livelihoods due to prolonged shutdowns and further led to a cascading effect on the global economy.COVID-19 infections have an incubation period of 2–7 days,but 40 to 45%of cases are asymptomatic or show mild to moderate respiratory symptoms after the period due to subclinical lung abnormalities,making it more likely to spread the pandemic disease.To restrict the spread of the virus,on-site diagnosis methods that are quicker,more precise,and easily accessible are required.Rapid Antigen Detection Tests and Polymerase Chain Reaction tests are currently the primary methods used to determine the presence of COVID-19 viruses.These tests are typically time-consuming,not accurate,and,more importantly,not available to everyone.Hence,in this review and hypothesis,we proposed equipment that employs the properties of photonics to improve the detection of COVID-19 viruses by taking the advantage of typical binding of coronavirus with angiotensin-converting enzyme 2(ACE2)receptors.This hypothetical model would combine Surface-Enhanced Raman Scattering(SERS)and Fluorescence Resonance Energy Transfer(FRET)to provide great flexibility,high sensitivities,and enhanced accessibility. 展开更多
关键词 COVID-19 CORONAVIRUS ACE2 virus detection PHOTONICS surface-enhanced raman scattering fluorescence resonance energy transfer
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Surface-enhanced Raman scattering on dielectric microspheres with whispering gallery mode resonance 被引量:10
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作者 STEVEN H.HUANG XUEFENG JIANG +5 位作者 Bo PENG COREY JANISCH ALEXANDER COCKING SAHIN KAYA OZDEMIR ZHIWEN LIU LAN YANG 《Photonics Research》 SCIE EI 2018年第5期346-356,共11页
Conventionally, metallic nanostructures are used for surface-enhanced Raman spectroscopy(SERS), but recently there has been increasing interest in the enhancement of Raman scattering from dielectric substrates due to ... Conventionally, metallic nanostructures are used for surface-enhanced Raman spectroscopy(SERS), but recently there has been increasing interest in the enhancement of Raman scattering from dielectric substrates due to their improved stability and biocompatibility compared with metallic substrates. Here, we report the observation of enhanced Raman scattering from rhodamine 6 G molecules coated on silica microspheres. We excite the whispering gallery modes(WGMs) supported in the microspheres with a tapered fiber coupler for efficient WGM excitation, and the Raman enhancement can be attributed to the WGM mechanism. Strong resonance enhancement in pump laser intensity and modified Raman emission from the Purcell effect in the microsphere resonator are observed from the experiment and compared with theoretical results. A total Raman enhancement factor of 1.4 × 10~4 is observed, with contribution mostly from the enhancement in pump laser intensity. Our results show that, with an efficient pumping scheme, dielectric microspheres are a viable alternative to metallic SERS substrates. 展开更多
关键词 surface-enhanced raman scattering dielectric microspheres with whispering gallery mode resonance
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Surface-enhanced Raman scattering(SERS)based on surface plasmon resonance coupling techniques
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作者 Shuping XU Yu LIU +1 位作者 Haibo LI Weiqing XU 《Frontiers of Chemistry in China》 2011年第4期341-354,共14页
Surface plasmon resonance(SPR)can provide a remarkably enhanced electromagetic field around metal surface.It is one of the enhancement models for explaining surface-enhanced Raman scattering(SERS)phonomenon.With the d... Surface plasmon resonance(SPR)can provide a remarkably enhanced electromagetic field around metal surface.It is one of the enhancement models for explaining surface-enhanced Raman scattering(SERS)phonomenon.With the development of SERS theories and techniques,more and more studies referred to the configurations of the optical devices for coupling the excitation and radiation of SERS,including the prism-coupling,waveguide-coupling,and grating-coupling modes.In this review,we will summarize the recent experimental improvements on the surface plasmoncoupled SERS. 展开更多
关键词 surface-enhanced raman scattering(SERS) electromagnetic field surface plasmon resonance(SPR) metal film GRATING
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A dual-functional membrane for bisphenol A enrichment and resonance amplification by surface-enhanced Raman scattering
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作者 Haoyu Lei Yuling Hu Gongke Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2018年第3期509-512,共4页
Bisphenol A (BPA) was one of the environmental hormones that would cause endocrine and metabolic disorders in human or wildlife. This paper proposed a method to detect the trace amounts of BPA in water samples by fu... Bisphenol A (BPA) was one of the environmental hormones that would cause endocrine and metabolic disorders in human or wildlife. This paper proposed a method to detect the trace amounts of BPA in water samples by fully utilizing the enrichment and resonance amplification functions of a new dual-functional membrane. In this work, gold nanoparticles (AuNPs) modified by 3-amino-5-mercapto-1,2,4-triazole (AMT) were embedded in nylon66 membrane to produce a dual-functional membrane which could carry out sample enrichment by capturing BPA molecules from water and achieve resonance amplification by connecting BPA to the surfaces of AuNPs. By designing an automatic sampler for large-volume enrichment, the SERS enhancement factor (EF) of the method was further improved to 1.2 × 105. The present method had been successfully applied to detect BPA in drinking water and environmental water by SERS with the detection limit of 0.012 μg/L. It had the potential for on-site detecting of BPA in various water samples. 展开更多
关键词 Dual-functional membrane Enrichment resonance amplification Bisphenol A surface-enhanced raman scattering
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四苯基卟啉二酸H_4TPP^(2+)的共振Raman光谱研究
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作者 陈东明 周冬梅 +4 位作者 王秀燕 张保忠 何天敬 辛厚文 刘凡镇 《中国科学技术大学学报》 CAS CSCD 北大核心 1991年第4期411-416,共6页
本文研究了四苯基卟啉二酸H_4TPP^(2+)在固体和溶液状态下的共振Raman光谱。并结合红外光谱指出H_4TPP^(2+)分子可能存在对称中心。退偏振比测量发现H_4TPP^(2+)有两个反常退偏带。H_4TPP^(2+)分子近似具有D_(14)对称性。
关键词 RRS 卟啉二酸 四苯基
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菌紫质在银膜表面的共振增强Raman光谱
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作者 李正强 付学奇 滕利荣 《光散射学报》 1999年第4期297-300,共4页
本文用表面共振增强Raman方法,研究了菌紫质在不同条件下吸附在镀银玻璃上的Raman光谱,结果表明菌紫质吸附在银膜上,代表菌紫质分子循环中间体M412特征谱带的1565cm-1Raman位移明显增强,说明银膜对M412态有一定表面共振增强作用。
关键词 菌紫质 银膜 共振增强 raman光谱 转换蛋白
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Femtosecond laser-induced nanoparticle implantation into flexible substrate for sensitive and reusable microfluidics SERS detection
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作者 Yongxiang Hu Yu Zhou +2 位作者 Guohu Luo Dege Li Minni Qu 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第4期262-274,共13页
Surface-enhanced Raman spectroscopy(SERS)microfluidic system,which enables rapid detection of chemical and biological analytes,offers an effective platform to monitor various food contaminants and disease diagnoses.Th... Surface-enhanced Raman spectroscopy(SERS)microfluidic system,which enables rapid detection of chemical and biological analytes,offers an effective platform to monitor various food contaminants and disease diagnoses.The efficacy of SERS microfluidic systems is greatly dependent on the sensitivity and reusability of SERS detection substrates to ensure repeated use for prolonged periods.This study proposed a novel process of femtosecond laser nanoparticle array(NPA)implantation to achieve homogeneous forward transfer of gold NPA on a flexible polymer film and accurately integrated it within microfluidic chips for SERS detection.The implanted Au-NPA strips show a remarkable electromagnetic field enhancement with the factor of 9×108 during SERS detection of malachite green(MG)solution,achieving a detection limit lower than 10 ppt,far better than most laser-prepared SERS substrates.Furthermore,Au-NPA strips show excellent reusability after several physical and chemical cleaning,because of the robust embedment of laser-implanted NPA in flexible substrates.To demonstrate the performance of Au-NPA,a SERS microfluidic system is built to monitor the online oxidation reaction between MG/NaClO reactants,which helps infer the reaction path.The proposed method of nanoparticle implantation is more effective than the direct laser structuring technique.It provides better performance for SERS detection,robustness of detection,and substrate flexibility and has a wider range of applications for microfluidic systems without any negative impact. 展开更多
关键词 femtosecond laser-induced transfer nanoparticle array surface-enhanced raman spectrum microfluidic system
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Laser irradiation induced spectral evolution of the surface-enhanced Raman scattering(SERS) of 4-tert-butylbenzylmercaptan on gold nanoparticles assembly 被引量:1
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作者 TONG LianMing ZHU Tao LIU ZhongFan 《Science China Chemistry》 SCIE EI CAS 2007年第4期520-525,共6页
The spectral evolution of the surface-enhanced Raman scattering (SERS) of 4-tert-butylbenzylmer-captan (4-tBBM) on gold nanoparticles assembly under laser irradiation is reported. The relative intensities of typical p... The spectral evolution of the surface-enhanced Raman scattering (SERS) of 4-tert-butylbenzylmer-captan (4-tBBM) on gold nanoparticles assembly under laser irradiation is reported. The relative intensities of typical peaks in the spectrum of 4-tBBM gradually change with irradiation time. Comparison of the rate of spectral changes under several experimental conditions indicates that the surface plasmon resonance (SPR) induced heat in the gold nanoparticles assembly is the origin of the spectral evolution. During the process of self-assembly, 4-tBBM molecules do not form a compact ordered monolayer because of the spatial hindrance of the 4-tert-butyl end group. The heat induced by laser irradiation drives the 4-tBBM molecules to rearrange to a more stable orientation. 展开更多
关键词 surface-enhanced raman scattering(SERS) spectral evolution surface PLASMON resonance(SRP) thermal effect
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Silver-coated elevated bowtie nanoantenna arrays: Improving the near-field enhancement of gap cavities for highly active surface-enhanced Raman scattering 被引量:1
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作者 Lei Feng Renping Ma Yandong Wang Daren Xu Dongyang Xiao Lingxiao Liu Nan Lu 《Nano Research》 SCIE EI CAS CSCD 2015年第11期3715-3724,共10页
Improving hot-spot intensity is a key issue in surface-enhanced Raman scattering (SERS). The bowtie nanoantenna (BNA) is an effective device used to concentrate light energy into a nanoscale volume and produce str... Improving hot-spot intensity is a key issue in surface-enhanced Raman scattering (SERS). The bowtie nanoantenna (BNA) is an effective device used to concentrate light energy into a nanoscale volume and produce strong hot spots. Nanosphere lithography (NSL) is a large-area and low-cost technique to produce BNA arrays; however, the SERS activity of NSL-fabricated BNAs is limited. In this paper, we present a simple method to improve the SERS activity of conventional NSL-fabricated BNAs by modifying their geometry. The new configuration is termed "silver-coated elevated bowtie nanoantenna" (SCEBNA). SCEBNAs perform intensive near-field enhancement in the gap cavities owing to the integrated contribution of the "lightning rod" effect, resonance coupling, and the formation of the plasmonic Fabry-Perot cavity. Experimental measurements and finite-difference time-domain simulations revealed that the hot-spot intensity and the substrate enhancement factor can be optimized by adjusting the silver thickness. The optimal sample has the capability of trace-amount detection with fine reproducibility. 展开更多
关键词 surface-enhanced raman scattering (SERS) surface plasmon resonance bowtie nanoantenna nanosphere lithography gap cavity
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Single-site surface-enhanced Raman scattering beyond spectroscopy 被引量:1
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作者 Mai Takas Satoshi Yasuda Kei Murakoshi 《Frontiers of physics》 SCIE CSCD 2016年第2期19-30,共12页
Recent progress in the observation of surface-enhanced Raman scattering (SERS) is reviewed to examine the possibility of finding a novel route for the effective photoexcitation of materials. The importance of well-c... Recent progress in the observation of surface-enhanced Raman scattering (SERS) is reviewed to examine the possibility of finding a novel route for the effective photoexcitation of materials. The importance of well-controlled SERS experiments on a single molecule at a single site is discussed based on the difference in the information obtained from ensemble SERS measurements using mul- tiple active sites with an uncontrolled number of molecules. A single-molecule SERS observation performed at a mechanically controllable breaking junction with a simultaneous conductivity mea- surement provides clear evidence of the drastic changes both in the intensity and in the Raman mode selectivity of the electromagnetic field generated by localized surface plasmon resonance. Careful con- trol of the field at a few-nanometer-wide gap of a metal nanodimer results in the modification of the selection rule of electronic excitation of an isolated single-walled carbon nanotube. The examples shown in this review suggest that a single-site SERS observation could be used as a novel tool to find, develop, and implement applications of plasmon-induced photoexcitation of materials. 展开更多
关键词 surface-enhanced raman scattering localized surface plasmon resonance metalnanostructure single-molecule observation single-walled carbon nanotube selection rule ofelectronic excitation
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自适应随机共振算法用于微弱信号检测 被引量:9
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作者 王利亚 印春生 +1 位作者 蔡文生 潘忠孝 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2001年第5期762-763,共2页
An adaptive algorithm for extracting weak signal based on the theory of stochastic resonance(SR) was proposed. It was implemented by investigating the self correlation of the outputs of the bistable system(with differ... An adaptive algorithm for extracting weak signal based on the theory of stochastic resonance(SR) was proposed. It was implemented by investigating the self correlation of the outputs of the bistable system(with different μ ). The results show that the self correlation will reach maximum when a sudden change of output occurs, and hence prove that SR is sensitive sharply to the change of the parameters μ , and also provide one novel method to express the outputs which hasnt been solved till now. The adaptive algorithm was also applied to analyze the weak Laser Raman spectrum of a CCl 4 sample(liquid in capillary) which was measured with SPEX 1403 Laser Raman spectrometer from 250 cm -1 to 418 cm -1 on 5 mW(output power of laser) . The spectrum was analyzed with the adaptive algorithm by varying the data to (-4 13, 3 50) and declining μ from 2 0 with step 0 01. The results obtained show that the adaptive algorithm was able to detect the weak signal automatically and correctly. 展开更多
关键词 随机共振 微弱信号检测 自适应算法 喇曼光谱 四氯化碳 谱图解析
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共振隧穿二极管的压阻特性测试与研究 被引量:5
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作者 毛海央 熊继军 +3 位作者 张文栋 薛晨阳 桑胜波 鲍爱达 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2006年第10期1789-1793,共5页
设计并搭建了检测共振隧穿二极管(RTD)压阻特性的实验系统,测试了RTD结构在不同应力状态下I-V特性曲线的漂移.实验结果表明RTD结构压阻特性的灵敏度大于1×10-8Pa-1.为了更精确地定量表达其压阻特性,研究了同一RTD结构I-V特性的一致... 设计并搭建了检测共振隧穿二极管(RTD)压阻特性的实验系统,测试了RTD结构在不同应力状态下I-V特性曲线的漂移.实验结果表明RTD结构压阻特性的灵敏度大于1×10-8Pa-1.为了更精确地定量表达其压阻特性,研究了同一RTD结构I-V特性的一致性,得到相同环境条件下RTD电阻的最大相对漂移量小于3%,其中1%由测试仪器造成. 展开更多
关键词 共振隧穿二极管 压阻特性 一致性 灵敏度 喇曼光谱
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基于周期调节的随机共振算法对化学弱信号的检测研究 被引量:5
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作者 潘忠孝 吴晓静 +2 位作者 郭卫民 蔡文生 邵学广 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2003年第4期605-608,共4页
提出了一种新的随机共振算法 ,通过对系统的周期进行调节以实现系统的共振 .讨论了实现共振的系统参数 ,并对模拟信号和拉曼光谱实验信号进行了处理 .结果表明 ,该方法不仅可方便地用于弱化学信号的处理 ,克服检出信号的滞后现象 。
关键词 化学弱信号 随机共振算法 周期调节 信号检测 激光拉曼光谱 分析化学
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黄曲霉素B_1在银团簇表面吸附的表面增强拉曼光谱 被引量:15
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作者 高思敏 王红艳 +1 位作者 林月霞 李汝虎 《物理化学学报》 SCIE CAS CSCD 北大核心 2012年第9期2044-2050,共7页
采用密度泛函理论(DFT)的B3LYP方法和6-311g(d,p)(C,H,O)/LanL2DZ(Ag)基组,优化得到黄曲霉素分子AFB1与Ag小团簇形成的复合物AFB1-Agn(n=2,4,6)的稳定结构,并计算了三种复合物的表面增强拉曼光谱(SERS)和预共振拉曼光谱(SERRS),与实验... 采用密度泛函理论(DFT)的B3LYP方法和6-311g(d,p)(C,H,O)/LanL2DZ(Ag)基组,优化得到黄曲霉素分子AFB1与Ag小团簇形成的复合物AFB1-Agn(n=2,4,6)的稳定结构,并计算了三种复合物的表面增强拉曼光谱(SERS)和预共振拉曼光谱(SERRS),与实验结果相一致.计算结果显示:三种复合物表面增强拉曼光谱中C=O伸缩振动模的增强因子约为102-103,是由于极化率改变引起的静化学增强.根据含时密度泛函理论(TDDFT)方法计算得到的吸收光谱,分别选择407.5、446.2和411.2nm作为入射光,计算三种复合物的共振拉曼光谱,发现在SERRS光谱中,Ag―O伸缩振动的增强因子达到104量级,主要是由电荷转移产生的共振增强引起的. 展开更多
关键词 密度泛函理论 黄曲霉素B1 复合物AFB1-Agn(n=2 4 6): 表面增强拉曼散射 表面增强预共振拉曼光谱
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