土壤水分对近红外光谱实时检测土壤全氮的影响研究

利用近红外光谱技术实时预测土壤全氮含量是精细农业的研究热点之一,但是由于土壤水分在近红外波段的吸收系数较高,影响了土壤全氮含量的实时预测精度。使用布鲁克MATRIX_I傅里叶近红外光谱分析仪对不同土壤水分的土壤样本进行了近红外光谱扫描,定性和定量的分析了土壤水分对近红外光谱的影响,并提出了一种消除土壤水分对土壤全氮含量预测影响的方法。近红外光谱扫描结果显示在同一全氮含量水平下,随着土壤水分含量的增加,光谱吸光度呈逐渐上升的趋势,且变化趋势为非线性。通过对1 450和1 940 nm两个水分吸收波段的差分处理,设计了水分吸收指数MAI（moisture absorbance index）,再对土壤按照水分含量梯度进行分类,提出了相应的修正系数。修正后的6个土壤全氮特征波段处(940,1 050,1 100,1 200,1 300和1 550 nm)的土壤吸光度值作为建模自变量,使用BP神经网络建立了土壤全氮预测模型,模型的R_C,R_V,RMSEC,RMSEP和RPD分别达到了0.86,0.81,0.06,0.05和2.75;与原始吸光度所建模型相比较模型精度得到了显著提高。实验结果表明本方法可以有效地消除土壤水分对近红外光谱检测土壤全氮含量预测的影响,为土壤全氮含量实时预测提供了理论和技术支持。     

SiN团簇光电子能谱的指认

应用含时密度泛函理论研究了SiN团簇低能激发态的性质.将计算结果与前人已有的计算结果进行了比较，此外还根据计算得到的低能激发能对SiN^-阴离子的光电子能谱进行了理论指认.研究表明，SiN^-阴离子的基态为¹Σ态，而光电子能谱上的X峰和A峰分别对应于¹Σ→²Σ和¹Σ→²Π的跃迁.研究结果还表明，用含时密度泛函的方法来处理激发态的问题是成功的. 关键词： 团簇 光电子能谱 基态 激发态     

Mössbauer Study of Thin Iron Film Beryllization

Beryllium coating of the iron foil is made by means of magnetron sputtering. Mössbauer studies are performed by means of two registration techniques: conversion electron Mössbauer spectroscopy (CEMS) and the γ-ray technique in absorption geometry. Performed investigations confirm the original thermodynamic approach to creation of thermally stable multi-layer materials.

     

Mössbauer Spectroscopic Study on Vertical Distribution of Iron Species in Sediments from Qinghai Lake,China

In this study, ⁵⁷Fe Mössbauer spectroscopy has been applied to sediments collected from Qinghai Lake in Qinghai Province, China, to investigate the vertical distribution of iron species. Their Mössbauer spectra consisted of four doublets ascribable to one paramagnetic high-spin Fe³⁺, two paramagnetic high-spin Fe²⁺ with different quadrupole splittings, and one diamagnetic low-spin Fe²⁺ that corresponds to pyrite (FeS₂). The distribution of pyrite suggested climatic changes during the past nine thousand years. It was demonstrated that the iron speciation in the salt lake sediments by Mössbauer spectroscopy can be used to reconstruct the past environment.

     

Measurement of Fluorescence Quantum Yield of Ultraviolet-Absorbing Substance Extracted from Red Alga: Porphyra yezoensis and its Photothermal Spectroscopy

Optical properties of an ultraviolet-absorbing substance (UVAS) extracted from the marine red alga, Porphyra yezoensis, have been investigated. The substance is excited by UV light, and the emitted fluorescence is detected using an intelligent fluorescence detector. The fluorescence of UVAS is weaker by four orders of magnitude than the fluorescence intensity emitted by anthracene in the same optical system. The absorbed energy is apparently not transferred to the photosynthesis process and is believed to be consumed as heat. Using photothermal spectroscopy, a signal is observed indicating that the absorbed photon energy has transferred to the heat. The waveform of the photothermal signal of UVAS is similar to that of quinoxaline, whose fluorescence quantum yield is known to be zero. It is determined that the fluorescence quantum yield and the energy of the triplet state of UVAS are 1.7 ± 0.7 ± 10⁻⁴ and 21000 ± 1000 cm ⁻¹, respectively. The conclusion is that the excited molecules of UVAS decay by passing through the triplet state and dissipate all absorbed energy as heat.     

Fe–Mn–Al–C Alloys: a Study of Their Corrosion Behaviour in SO2 Environments

The corrosion reaction of four Fe–Mn–Al alloys exposed to a cycling, dry–humid, SO₂ (0.001% by volume) polluted atmosphere was studied. ICEMS, XPS, AES-SAM and transmission Mössbauer spectroscopy at different temperatures were employed to characterize the corrosion products. The analytical results indicate that (i) ferrihydrite is the main component of the rust; (ii) there is an abundant presence of Mn²⁺ and SO₃ ^2–/SO₄ ^2– on the top of the corrosion layer, the concentration of SO₄ ^2– increasing with the number of cycles; and (iii) the magnetic hyperfine pattern exhibited by the series of low-temperature spectra of the rust is quite different from that observed in the rust formed under similar corrosive environments on iron and weathering steel. This latter finding is correlated with a slow rate of transformation of the Fe³⁺ species formed at the early stages of corrosion into -FeOOH, the usual final product of this type of corrosion processes. The sulphate anions, abundant inside the electrolyte during the wet periods, could be incorporated to the ferrihydrite structure being responsible for the Mössbauer spectral pattern recorded from the corrosion products at low temperatures.     

Determination of the Recoilless Fraction in Iron Oxide Nanoparticles Using the Two-lattice Method

We propose a two-lattice method for direct determination of the recoilless fraction using a single room-temperature transmission Mössbauer measurement. The method is first demonstrated for the case of iron and metallic glass two-foil system and is next generalized for the case of physical mixtures of two powders. We further apply this method to determine the recoilless fraction of hematite and magnetite particles. Finally, we provide direct measurement of the recoilless fraction in nanohematite and nanomagnetite with an average particle size of 19nm. A list of values obtained for the recoilless fraction in various materials using the two-lattice method is given.     

Method of Self-Mixing in the Spectroscopy of Quasielastically Scattered Laser Radiation

Interaction of a semiconductor laser with its self-radiation quasielastically scattered in the environment is considered. It is established that at small coefficients of coupling of the laser with the scattering medium the spectral density of the power of an optoelectronic signal in the laser faithfully reproduces the shape of the scattered-radiation spectrum at the Doppler-shift frequencies. This makes it possible to measure the spectrum with a resolution characteristic for optical homodynation by recording the optoelectronic signal.     

若干低维材料的拉曼光谱学研究--2004年度国家自然科学二等奖获奖项目介绍

文章扼要介绍了2004年国家自然科学二等奖获奖项目：《若干低维材料的拉曼光谱学研究》．用拉曼光谱研究低维纳米材料,必须对传统拉曼光谱学进行改造,创建新的“低维拉曼光谱学”．该项目通过若干低维材料的研究,为创建低维拉曼光谱学作出了系统的创新性贡献,如最先鉴认出典型低维材料的拉曼指纹谱,发现拉曼光谱的两个基本特征出现“反常”,但证明拉曼散射基本原理在低维体系中依然成立．通过低维拉曼光谱和光发射谱的应用研究,发现了材料的许多新奇物性,如发现超晶格和碳纳米管是类缺陷结构,和极性半导体纳米晶材料具有非晶特性,并提出了多孔硅的“量子限制电化学”形成和“多源量子阱”光发射模型,促进了低维材料和半导体器件的制备．     

环庚三烯酚酮稀土配合物的拉曼光谱研究

本文应用拉曼光谱研究了镧系金属镧 ,钕 ,钐和镱与环庚三烯酚酮配合物的配位方式及结构。研究结果表明 ,金属与环庚三烯酚酮配位后原对应于OH的伸缩振动谱峰消失 ,同时部分相关的谱峰频率也发生了明显的位移 ,在低波数 4 0 0 -5 0 0cm- 1区间检测到新的谱峰 ,并且该谱峰的位置随配合物中金属的不同而不同。根据拉曼光谱的研究结果推断了金属与配体的配位方式以及所得稀土金属配合物可能的结构。