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Effect of liquid ammonia and protease on surface modification and shrink resistance of wool 液氨和蛋白酶对羊毛表面改性及抗收缩性能的影响
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-10-22 DOI: 10.1002/sia.7262
Xianqin Shang, Qiang Wang, Zhe Jiang, Haitao Ma
In order to improve the surface properties of wool fiber, the wool fabric was treated with liquid ammonia and protease treatments successively. The results showed that liquid ammonia pretreatment could cause certain damage to the surface structure and disulfide bonds in keratin, which enhanced the action of protease on wool surface and catalytic hydrolysis of the cuticle. The joint treatment of liquid ammonia and protease changed the secondary structure of wool. The content of α‐helix and random crimp increased, while the content of β‐sheet decreased. In addition, the shrink resistance of wool fabric was significantly improved without obvious losses in tensile strength and elongation. The combination of liquid ammonia and protease treatments provides a potential new method for the surface modification and eco‐friendly shrink‐resistant finishing of wool and further widens the application of liquid ammonia in textile industry.
为了改善羊毛纤维的表面性能,对羊毛织物先后进行了液氨和蛋白酶处理。结果表明,液氨预处理对羊毛表面结构和角蛋白二硫键有一定的破坏作用,增强了蛋白酶在羊毛表面的作用和对角质层的催化水解作用。液氨和蛋白酶的联合处理改变了羊毛的二级结构。α‐螺旋和随机卷曲的含量增加,而β‐薄片的含量减少。同时,在抗拉强度和伸长率没有明显损失的情况下,羊毛织物的抗缩性能得到了显著提高。液氨与蛋白酶联合处理为羊毛表面改性和环保抗缩整理提供了一种潜在的新方法,进一步扩大了液氨在纺织工业中的应用。
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引用次数: 0
Simultaneous measurement of impurities and composition by secondary ion mass spectrometry with optical emission spectrometry 二次离子质谱法与光学发射光谱法同时测定杂质和成分
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-10-13 DOI: 10.1002/sia.7255
Takashi Miyamoto, Shigenori Numao, Junichiro Sameshima, Masanobu Yoshikawa
Various secondary particles are emitted when the surface of solid matter is irradiated with ions. This phenomenon has been utilized in several methods to analyze target materials. In analytical techniques, the method used to detect secondary ions is called “secondary ion mass spectrometry (SIMS).” In contrast, “secondary ion mass spectrometry with optical emission spectrometry (SIMS‐OES)” detects photons emitted from sputtered, excited atoms. Both SIMS and OES can characterize a sample surface and perform local elemental analysis of the surface, depth profiling of elements, and detection of any atom. SIMS with high sensitivity has mainly been developed for the impurity analyses of semiconductors. However, no research has been reported on applications using SIMS‐OES or a combination of SIMS and SIMS‐OES. In this study, we prove that atomic emission can be observed via ion irradiation. In addition, we show that the composition analysis is possible using the SIMS‐OES method. Herein, impurity and composition analyses were enabled by utilizing atomic emission. Moreover, we proved that an assessment with high‐depth direction resolution is feasible by etching the circumference of a crater in advance.
当固体物质的表面受到离子照射时,会发射出各种各样的二次粒子。这一现象已在几种分析靶材的方法中得到利用。在分析技术中,用于检测二次离子的方法称为“二次离子质谱法(SIMS)”。相比之下,“二次离子质谱与光学发射光谱(SIMS‐OES)”检测从溅射,激发原子发射的光子。SIMS和OES都可以表征样品表面,并对表面进行局部元素分析,对元素进行深度剖析,并检测任何原子。具有高灵敏度的SIMS主要用于半导体杂质分析。然而,目前还没有关于使用SIMS‐OES或SIMS与SIMS‐OES结合应用的研究报道。在这项研究中,我们证明了原子发射可以通过离子照射观察到。此外,我们证明了使用SIMS‐OES方法进行成分分析是可能的。在这里,杂质和成分分析是利用原子发射实现的。此外,我们还证明了通过提前蚀刻陨石坑的周长来进行高深度方向分辨率的评估是可行的。
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引用次数: 0
Structural, electronic, and thermoelectric properties of hydroxyl groups adsorption on SnO2 (110) surface: A first‐principles study 羟基在SnO2(110)表面吸附的结构、电子和热电性质:第一性原理研究
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-10-10 DOI: 10.1002/sia.7261
N. Bouchelarem, F. Bouamra, M. Derbal, M. Rérat
Structural, electronic, and thermoelectric properties of bridging OH b and terminal OH t groups adsorbed on stoichiometric SnO 2 (110) surfaces have been investigated using density functional theory and semiclassical Boltzmann transport theory with effective core pseudopotential implemented in CRYSTAL17 program. Our results indicate that H and OH yield significant structural relaxation around the adsorption sites O 2c and Sn 5c . The results have shown that the absolute value of adsorption energy increases with decreasing the coverage from 1 to 1/4 monolayer. Mulliken charge analysis, band structures, and density of states were calculated and discussed. We found that H and OH adsorption increases the band gap energy from 2.81 eV for clean surfaces to 3.04, 2.95, and 2.89 eV with, respectively, 1, 1/2 and 1/4 monolayer surface coverages. Thermoelectric properties revealed that the presence of hydroxyl groups on the SnO 2 (110) surfaces may enhance the Seebeck coefficient, electrical conductivity, and electronic thermal conductivity.
利用密度泛函理论和半经典玻尔兹曼输运理论,在CRYSTAL17程序中实现了有效核伪势,研究了在化学测量sno2(110)表面吸附的桥接OH b和末端OH t基团的结构、电子和热电性质。我们的研究结果表明,H和OH在吸附位点o2c和sn5c周围产生明显的结构松弛。结果表明,从1层到1/4层,吸附能的绝对值随单层覆盖面积的减小而增大。计算并讨论了Mulliken电荷分析、能带结构和态密度。我们发现,H和OH的吸附使清洁表面的带隙能从2.81 eV增加到3.04、2.95和2.89 eV,分别为1、1/2和1/4单层表面覆盖度。热电性质表明,羟基的存在可以提高sno2(110)表面的塞贝克系数、电导率和电子导热系数。
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引用次数: 0
Surface analysis insight note: Multivariate curve resolution of an X‐ray photoelectron spectroscopy image 表面分析洞察注:X射线光电子能谱图像的多变量曲线分辨率
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-10-05 DOI: 10.1002/sia.7260
Behnam Moeini, Neal Gallagher, Matthew R. Linford
This Insight Note follows a series of three previous insight notes on X‐ray photoelectron spectroscopy image analysis that focused on the importance of analyzing the raw data, the use of summary statistics, and principal component analysis (PCA). The same X‐ray photoelectron spectroscopy image data set was analyzed in all three notes. We now show an analysis of this same data set using multivariate curve resolution (MCR). MCR is a widely used exploratory data analysis method. Because of MCR's nonnegativity constraints, it has the important advantage of producing factors that look like real spectra. That is, both its scores and loadings are positive, so its results are often more interpretable than those from PCA. The requirements for preprocessing data are also, in general, lower for MCR compared with PCA. To help determine the number of factors that best describe the data set, a series of MCR models with different numbers of factors was created. Based on the chemical reasonableness of its factors, a two‐factor model was selected. Scores plots/images show the regions of the image that correspond to these two factors.
这篇见解笔记是继之前关于X射线光电子能谱图像分析的一系列三个见解笔记之后,重点是分析原始数据、使用汇总统计和主成分分析(PCA)的重要性。在所有三个笔记中分析了相同的X射线光电子能谱图像数据集。我们现在展示了使用多变量曲线分辨率(MCR)对同一数据集的分析。MCR是一种广泛应用的探索性数据分析方法。由于MCR的非负性约束,它有一个重要的优势,即产生看起来像真实光谱的因子。也就是说,它的分数和负载都是正的,所以它的结果通常比PCA的结果更可解释。一般来说,与PCA相比,MCR对预处理数据的要求也较低。为了帮助确定最能描述数据集的因素数量,我们创建了一系列具有不同数量因素的MCR模型。基于各因素的化学合理性,选择了双因素模型。分数图/图像显示了图像中与这两个因素相对应的区域。
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引用次数: 1
Tribochemistry effect on the friction reduction of Al2O3/ethylene glycol composite lubricant between steel self‐mated tribosystem 摩擦化学对Al2O3/乙二醇复合润滑剂钢间摩擦减量的影响
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-21 DOI: 10.1002/sia.7259
Peng Liu, Qing Xu, Renhui Zhang
In our previous work, we find that the ethylene glycol (EG) is transferred to amorphous carbon or graphene during sliding under the effect of the tribochemical reactions; herein, in this work, we control the concentration of the modified Al 2 O 3 nanoparticles in the EG solution in order to modulate the tribological properties of the tribosystem sliding in the mixed lubricant consisting of the modified Al 2 O 3 nanoparticles and EG. The tribological tests show that the concentrations of the modified Al 2 O 3 nanoparticles ranging from 0 to 1.0 wt% in the mixed lubricant are helpful for obtaining low wear rate due to the formation of graphene‐like materials induced by tribochemical reactions. On the other hand, when the concentration reaches 1.5 wt.%, the tribosystem exhibits high coefficient of friction (COF) and wear rate, which is attributed to the formation of reunited groups consisting of the modified Al 2 O 3 nanoparticles and graphene‐like materials. This investigation should give a positive guidance for the design of the mixed lubricant with excellent lubrication properties.
在我们之前的工作中,我们发现在摩擦化学反应的作用下,乙二醇(EG)在滑动过程中转移到无定形碳或石墨烯;在本研究中,我们通过控制改性氧化铝纳米颗粒在EG溶液中的浓度,来调节由改性氧化铝纳米颗粒和EG组成的混合润滑剂中摩擦系统滑动的摩擦学性能。摩擦学试验表明,在混合润滑油中加入浓度为0 ~ 1.0 wt%的改性al2o3纳米颗粒有助于获得较低的磨损率,这是由于摩擦化学反应引起的类石墨烯材料的形成。另一方面,当浓度达到1.5 wt.%时,摩擦系统表现出较高的摩擦系数(COF)和磨损率,这是由于由改性的al2o3纳米颗粒和石墨烯样材料组成的团聚基团的形成。研究结果对设计具有优良润滑性能的混合润滑剂具有积极的指导意义。
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引用次数: 0
Sputtering and structural modifications induced in silicon dioxide (SiO2) thin films under (10–40 MeV) Auq+ heavy ion irradiation (10-40 MeV) Auq+重离子辐照下二氧化硅(SiO2)薄膜的溅射和结构修饰
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.1002/sia.7257
Ster Mammeri, Mhamed Salhi, Abir Boubir, Mandla Msimanga, Christopher Mtshali, Mlungisi Nkosi
Surface sputtering and structural modifications induced in silicon dioxide thin films (SiO 2 /Si) deposited on silicon substrates and irradiated by swift (10–40 MeV) heavy Au q+ (q = +4, +6, +7, and +9) ions were investigated by grazing‐incidence X‐ray diffraction (GIXRD) spectroscopy, Rutherford backscattering (RBS) spectrometry and time‐of‐flight elastic recoil detection (ToF‐ERDA) technique. The GIXRD analysis of the as‐deposited and irradiated samples revealed increasing structural modifications of the SiO 2 thin films under Au q+ ion impacts with increasing ion‐beam energy. The changes consisted of decreased grain sizes with increased strain accompanied by a phase transformation from crystalline to amorphous films. RBS analysis showed a decrease in the mean stoichiometric (O/Si) ratio from (2.2 ± 0.1) to (1.7 ± 0.1), due to preferential sputtering of oxygen, as the incident ion energy increased. The obtained RBS‐results were then completed by those of ToF‐ERDA analysis technique using a 40 MeV Au 9+ heavy ion beam. The preferential sputtering yield ratios (Y Si /Y O ) were determined experimentally both versus electronic stopping power and ion fluence. The obtained results were then compared to numerical values derived from the inelastic thermal spike (i‐TS) model, Sigmund's analytical formula and SRIM simulation code. A good agreement was observed between the measured preferential sputtering data and the i‐TS calculated values, when considering both nuclear elastic and electronic inelastic collision mechanisms. Besides, a close correlation is observed between the electronic stopping power dependent measured sputtering yields and the XRD peak intensity degradation per unit fluence. These observations suggest that the same mechanism of MeV heavy ion‐irradiation induced extended atomic disordering, occurs both in the case of structural modifications and surface sputtering. Finally, the obtained experimental results are discussed on the basis of the i‐TS model.
采用掠入射X射线衍射(GIXRD)光谱、卢瑟福后向散射(RBS)光谱和飞行时间弹性反冲检测(ToF - ERDA)技术研究了快速(10-40 MeV)重Au q+ (q = +4、+6、+7和+9)离子辐照沉积在硅衬底上的二氧化硅薄膜(sio2 /Si)表面溅射和结构修饰。砷沉积和辐照样品的GIXRD分析表明,随着离子束能量的增加,Au q+离子作用下sio2薄膜的结构修饰增加。随着应变的增加,晶粒尺寸减小,并伴有从晶态到非晶态的相变。RBS分析表明,随着入射离子能量的增加,由于氧优先溅射,平均化学计量比(O/Si)从(2.2±0.1)下降到(1.7±0.1)。利用40mev Au 9+重离子束,用ToF - ERDA分析技术完成RBS‐结果。实验确定了电子停止功率和离子影响下的优先溅射良率(Y Si /Y O)。然后将所得结果与非弹性热峰值(i‐TS)模型、西格蒙德解析公式和SRIM模拟代码的数值进行比较。当考虑核弹性和电子非弹性碰撞机制时,观测到的优先溅射数据与i - TS计算值吻合得很好。此外,在电子停止功率依赖的溅射量与单位通量的XRD峰强度降解之间观察到密切的相关性。这些观察结果表明,在结构修饰和表面溅射的情况下,MeV重离子辐照诱导扩展原子无序的机制是相同的。最后,在i‐TS模型的基础上对得到的实验结果进行了讨论。
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引用次数: 0
Electronic structure and optical absorption property of BaTiO3/BiCoO3 BaTiO3/BiCoO3的电子结构及光学吸收性能
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.1002/sia.7258
Lijing Wei, Ling Pang, Shaoyuan Pang, Jianan Sun, Pan Yang, Jianxin Guo
In this paper, we calculated the different forms of BaTiO 3 /BiCoO 3 composite structure, predicting their visible light absorption performance based on the electronic structure using the first principles calculations. Firstly, six possible compounds that come from BaTiO 3 and BiCoO 3 were constructed. By calculating the different antiferromagnetic (AFM) structures of strip, columnar, and layered composite structures, it is found that the ground state of the composite structure changes to G‐type AFM structure from C‐type AFM structure of pure BiCoO 3 under the influence of BaTiO 3 . Energy band calculations show that band gaps of three composite structures are smaller than those of pure BaTiO 3 and pure BiCoO 3 . Furthermore, density of states analysis shows that the conduction band minimum (CBM) and valence band maximum (VBM) of three composite structures are mainly from the contribution of Co 3 d and O 2 p . For the characteristic that CBM and VBM of materials come from different atoms, it would reduce the recombination opportunities of electrons and holes and is conducive to the increase of photoelectric conversion efficiency under visible light irradiation. The calculation of optical properties shows that optical absorption coefficients of three composite structures are much larger than that of BaTiO 3 , especially the layered composite structure. There is a high absorption peak near 500 nm of the solar spectral irradiation maximum, which is significantly important to improve the optical energy conversion efficiency of the composite materials. The work provides an effective way for the application of wide band gap ferroelectric materials in ferroelectric photovoltaic.
本文计算了不同形式的batio3 / bico3复合材料结构,利用第一性原理计算预测了其基于电子结构的可见光吸收性能。首先,构建了6个可能来源于batio3和batio3的化合物。通过计算条状、柱状和层状复合结构的不同反铁磁(AFM)结构,发现在batio3的影响下,复合结构的基态由纯bico3的C型AFM结构转变为G型AFM结构。能带计算表明,三种复合结构的能带隙均小于纯batio3和纯batio3。此外,态密度分析表明,三种复合结构的导带最小值(CBM)和价带最大值(VBM)主要来自于Co 3 d和O 2 p的贡献。由于材料的CBM和VBM来自不同原子的特性,减少了电子和空穴的复合机会,有利于可见光照射下光电转换效率的提高。光学性质的计算表明,三种复合结构的光学吸收系数都远大于batio3,尤其是层状复合结构。在太阳光谱辐照最大值500 nm附近存在一个高吸收峰,这对提高复合材料的光能转换效率具有重要意义。该工作为宽带隙铁电材料在铁电光伏中的应用提供了有效途径。
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引用次数: 0
Complementary spectroscopic and electrochemical analysis of the sealing of micropores in hexamethyldisilazane plasma polymer films by Al2O3 atomic layer deposition Al2O3原子层沉积对六甲基二硅烷等离子体聚合物薄膜微孔密封的互补光谱和电化学分析
4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.1002/sia.7256
Xiaofan Xie, David Zanders, Florian Preischel, Teresa de los Arcos, Anjana Devi, Guido Grundmeier
In the present study, the effects of oxygen plasma treatment and subsequent 2 nm thin Al 2 O 3 film deposition by atomic layer deposition on about 30 nm thick hexamethyldisilazane polymer layers are investigated by using a combination of spectroscopic and electrochemical analysis. The investigations focus on the microporosity of the corresponding films and their structural changes. Upon oxygen plasma treatment, the surface near region of the films is converted into SiO x , and the microporosity is increased. Atomic layer deposition of Al 2 O 3 on the plasma oxidized films leads to the decrease of pore sizes and an effective sealing. A correlation between the film microporosity and the change of hydroxyl groups of the films with the adsorption of water was established by ellipsometric porosimetry and in situ Fourier transform infrared (FTIR) spectroscopy. Moreover, electrochemical analysis provided complementary information on the electrolyte up‐take in the differently conditioned thin films.
在本研究中,采用光谱分析和电化学分析相结合的方法,研究了氧等离子体处理和随后的原子层沉积2nm薄Al 2o3薄膜在约30 nm厚的六甲基二氮化硅聚合物层上的影响。研究的重点是相应薄膜的微孔隙度及其结构变化。经氧等离子体处理后,膜表面近区转化为SiO - x,微孔隙度增大。在等离子体氧化膜上沉积Al 2o3原子层,使膜孔尺寸减小,具有良好的密封效果。利用椭偏孔隙度法和原位傅里叶变换红外光谱(FTIR)建立了膜微孔隙度和膜羟基变化与水吸附的相关性。此外,电化学分析还提供了不同条件下薄膜中电解质吸收的补充信息。
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引用次数: 0
Photoelectron spectroscopy of ceria: Reduction, quantification and the myth of the vacancy peak in XPS analysis 铈的光电子能谱:还原、定量和XPS分析中空位峰的神话
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-04 DOI: 10.1002/sia.7254
David J. Morgan
Primarily due to its inherent redox chemistry, ceria (CeO2) is of use in many diverse areas of research. However, there is a wealth of misinterpretation of the oxygen spectra when discussing the result of damage or reduction to the CeO2 lattice, especially with regard to a signal in this region attributed to oxygen vacancies. In this paper, it is shown that this peak cannot be due to vacancies and that a better understanding of the changes in stoichiometry of CeO2 is best viewed from that of the Ce(III) component when considered in tandem with the O 1s signal.
主要由于其固有的氧化还原化学性质,二氧化铈(CeO2)在许多不同的研究领域得到了应用。然而,在讨论CeO2晶格的损伤或还原的结果时,对氧谱有大量的误解,特别是关于该区域归因于氧空位的信号。本文表明,该峰不可能是由空位引起的,并且当与o1s信号串联考虑时,最好从Ce(III)组分的化学计量变化中更好地理解CeO2的化学计量变化。
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引用次数: 4
Issue Information 问题信息
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-01 DOI: 10.1002/sia.7119
No abstract is available for this article.
这篇文章没有摘要。
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引用次数: 0
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Surface and Interface Analysis
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