Thermal annealing effects on grain boundary recombination activity in silicon

We have studied the influence of conventional and rapid thermal treatments at 850°C for 30 min and 10 s, respectively, on the recombination activity of the9,13 (P-type) and25 (N-type) grain boundaries in silicon. The analyses were made by scanning electron microscopy (SEM) working in the electron beam induced current mode (EBIC) and completed by minority carrier diffusion length measurements. The main result obtained from this study shows the importance of the rapid thermal process as a suitable thermal treatment for polycrystalline materials.     

The ν5 and 2ν9 bands of the N isotopic species of nitric acid (H15NO3): Line positions and intensities

Nitric acid (HNO₃) plays an important role in the Earth’s atmosphere as a reservoir molecule of NO_x species. It has a strong infrared signature at 11 μm which is one of the most commonly used for the infrared retrieval of this species in the atmosphere since this spectral region coincides with an atmospheric window. It is therefore essential to have high quality spectral parameters in this spectral region. For the H¹⁴NO₃ (main) isotopic species, the 11 μm bands were already the subject of numerous extensive studies which involve not only the ν₅ and 2ν₉ cold bands but also the first hot bands. The present work is the first high resolution Fourier transform analysis of the 11 μm bands for H¹⁵NO₃, which is the second most abundant isotopomer of nitric acid [a ≅ 0.00365(7)]. In this way, the analysis of the ν₅ and 2ν₉ cold bands centered at 871.0955 and 893.4518 cm⁻¹ was performed, and as for H¹⁴NO₃, these bands are significantly perturbed since rather strong resonances couple the 5¹ and 9² rotational levels. The theoretical model that we used to compute the line positions and line intensities is directly issued from the one which we used recently for H¹⁴NO₃ [A. Perrin, J. Orphal, J.-M. Flaud, S. Klee, G. Mellau, H. Mäder, D. Walbrodt, M. Winnewisser, J. Mol. Spectrosc. 228 (2004) 375-391]. Actually, for the H¹⁵NO₃ line positions, the Hamiltonian matrix accounts for the rather strong Fermi and the weaker Coriolis interactions linking the 5¹⇔9² rotational levels. Using this model which accounts correctly for the strong mixing of the 5¹ and 9² upper state energy levels, the ν₅ and 2ν₉ line intensities for H¹⁵NO₃ were satisfactorily computed using the ν₅ and 2ν₉ transition moment operators achieved previously for the ¹⁴N (main) isotopic species. In this way, the transfer of intensities from the ν₅ fundamental (and presumably strong) band to the 2ν₉ overtone (and presumably weak) band could be explained for H¹⁵NO₃ as it was done previously for the ¹⁴N (main) isotopic species. Finally, the position of the H¹⁵NO₃ν₅ + ν₉ − ν₉ hot band was identified at 875.245 cm⁻¹.     

高精度高分辨率迎风格式应用于不同速度范围内粘性流动

提出了一种适合于不同速度范围的高精度高分辨率的迎风有限差分格式，并基于此数植模型发展了适应于速度范围极宽的非定常粘性流动通用软件，不仅适用于超音速下捕捉强间断面，跨音速及高亚音速下捕捉弱间断面和滑移面，还可以精确地模拟低速情况下的粘性流动。此软件可分别用于研究内流和外流的流动特性以及预估其粘性损失。     

Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral of a family of self-adjoint operators acting in the Hilbert space , where is the Hilbert space of the quantum radiation field. The fiber operator is called the Hamiltonian of the Dirac polaron with total momentum . The main result of this paper is concerned with the non-relativistic (scaling) limit of . It is proven that the non-relativistic limit of yields a self-adjoint extension of a Hamiltonian of a polaron with spin 1/2 in non-relativistic quantum electrodynamics.     

高氯酸二水邻菲咯啉合铜配合物的合成和晶体结构

Crystal structure of the title compound， Cu(phen)(H₂O)₂·ClO₄(phen=1，10-phenanthroline)， was deter-mined by X-ray crystallography. It crystallizes in the monoclinic system， space group C2/c with lattice parameters a=1.49071(4)nm， b=1.38594(4)nm， c=0.70292(1)nm， β=108.509(1)° and Z=4; The Cu(Ⅰ) ion is chelated by a phen ligand and two aqua ligands in cis arrangement and assumes a C2 symmetric square-planar geometry with the CuN₂O₂ core. Eight Cu(phen)(H₂O)₂·ClO₄ molecules are interconnected by strong hydrogen bonds between coordinated water molecules and uncoordinated perchlorate anions to form a molecular scale cavities along c axis. The bond distances of Cu-N and Cu-O are 0.2003(4)nm and 0.1973(3)nm， respectively. CCDC： 197600.     

2020 Roadmap on two-dimensional nanomaterials for environmental catalysis

This roadmap demonstrates a series of two-dimensional nanomaterials, such as graphene, black phosphorus, oxides, layered double hydroxides, chalcogenides, bismuth-based layered compounds, MXenes, metal organic frameworks, covalent organic frameworks, and others, for environmental catalysis.     

Li＋在PC＋DMF混合溶剂中优先溶剂化的13C NMR研究

利用¹³C NMR光谱技术研究了Li^＋在碳酸丙烯酯(PC)＋N,N-二甲基甲酰胺(DMF)混合溶剂中的优先溶剂化现象. 根据溶剂分子中碳原子的化学位移随锂盐浓度的变化关系, 确定了与Li^＋发生配位的原子. 碳原子的配位位移值随混合溶剂组成的变化关系表明, 在LiClO₄＋PC＋DMF混合物中, DMF分子对Li^＋的溶剂化作用较PC分子强. 定量计算得到, 在n(PC)∶n(DMF)＝1∶1(摩尔比)的混合溶剂中, PC与DMF分子数在Li^＋第一溶剂化层中的比率为0.12, 说明Li^＋优先被DMF分子溶剂化.     

四溴代对苯二甲酸根及二吡啶基丙烷构筑的锌(Ⅱ)及镉(Ⅱ)配位聚合物的合成及晶体结构

在室温和甲醇/水溶液为溶剂的条件下,以四溴代对苯二甲酸(H2TBTA)及1,3-二(4-吡啶基)丙烷(BPP)为配体合成了[Zn(TBTA)(BPP)]n(1)和[Cd(TBTA)(BPP)2(H2O)2]n(2)2个配位聚合物,对其进行了X-射线单晶衍射、元素分析、红外光谱分析和热重等性质表征。结果表明:配合物1为二维(2D)层状网络结构;配合物2为一维(1D)链状结构;H2TBTA配体中的羧基都采取单齿模式与金属离子配位;配合物中的氢键作用对其结构的稳定性起关键作用。     

Ti(C,N)基金属陶瓷磨损机理的研究

研究了Ｔｉ（Ｃ,Ｎ）基金属陶瓷的磨损特性,结果表明,其摩擦学性能优良,耐磨性随占结相Ｎｉ的增加而降低,在干摩擦下其磨损机理同为粘着磨损及硬质相剥落,随Ｎｉ含量的减少,金属陶瓷的粘着减轻,在油润滑条件下,金属陶瓷的磨损机理是犁削及硬质相剥落。     

N2O分解催化剂Co-Al尖晶石型复合氧化物制备参数的优化

以柠檬酸为配合剂,用溶胶-凝胶法制备了一组不同组成的Co-Al复合氧化物(CoAl_2O_4、CoCo0.5Al1.5O4、CoCoAlO_4、CoCo_(1.5)Al_(0.5)O_4、Co_3O_4),用于催化分解N_2O.用N_2物理吸附、X射线衍射(XRD)、扫描电镜(SEM)、H2程序升温还原(H2-TPR)、X射线光电子能谱(XPS)等技术对催化剂进行了结构表征,考察了复合氧化物组成、母液pH值、配合剂用量等制备参数对催化剂活性的影响.结果表明:用Al取代Co_3O_4中部分Co制备Co-Al复合氧化物,提高了催化剂的比表面积和催化活性,其中组成为CoCo_(1.5)Al_(0.5)O_4、母液pH=2、柠檬酸/金属离子(摩尔比)为1的催化剂活性较高.在CoCo_(1.5)Al_(0.5)O_4表面浸渍K2CO3溶液制得K改性催化剂,弱化了钴-氧化学键,提高了催化活性.其中0.02K/CoCo1.5Al0.5O4催化剂在有氧有水气氛400℃连续反应50h,N_2O转化率达97.1%.