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This paper mainly investigate the temperature on the influence of the content of b²-alumina and the samples’ crystal structure.
belongs to rhombohedral system, hexagonal system structure is close to rhombohedral system from the aspects of crystal structure, so it is easy for a-alumina to form b²-alumina at high temperature.
The characteristic peak of NaAlO2 can be seen again at 1300°C ,the content of b²-alumina reduce to 84.53%, the b²-alumina decompose because of the evaporation of sodium oxide from 1200°C to 1300°C. b²-alumina crystal cell contains more oxygen and aluminium atoms in basic structure because the c axis of b²-alumina is longer than the c axis of b-alumina, b²-alumina is easily decompose than b-alumina because sodium atoms have high energy and acute thermal motion at high temperature are easy to escape from the edge of basic structure and cause the structure to collapse and decompose, and the content of b²-alumina is much higher than the content of b-alumina in the sample, so the formation of NaAlO2 mainly depends on the decompostion of b²-alumina.
Synthesis of b-Al2O3 solid electrolytes by the CA complexing Sol-Gel method,Chinese Journal of Inorganic Chemistry. 27 (2011) 2377-2382
Synthesis of b-Al2O3 solid electrolytes by the EDTA complexing Sol-Gel method,Chinese Journal of Inorganic Chemistry. 26 (2010) 1165-1170

A series of layered-structure Bi-based oxychlorides such as BiOCl, Bi3O4Cl, Na0.5Bi1.5O2Cl, Bi4NbO8Cl and MBiO2Cl (M = Ca, Sr, Ba, Cd, Pb) used as efficient photocatalysts.
In the structure of the typical oxychloride BiOCl, [Bi2O2] and [Cl2] slabs are orderly stacked along c axis to form the unique layered structure.
It is interesting that MBiO2Cl (M = Ca, Sr, Ba) with similar chemistry and band structure show different properties, i.e., Ca > Ba > Sr.
[MBiO2] and [Cl] slabs are orderly one by one piled up to construct the open layered structure.
For such compounds with similar chemistry and band structure, their photocatalytic activity difference can be well explained by a packing factor (PF) model proposed in our previous work [9, 13].

Results and discussions Electronic structures of ideal (6,2) SiCNT Band structure near band edges of the (6,2) SiCNT and partial density of states (PDOS) are calculated firstly(in Figure 2).
Electronic structures of vacancy defective SiCNTs Vacancies have serious impacts on the geometries and electronic structures of the CNTs, boron nitride and gallium nitride nanotubes[21-23].
The electronic structures of the carbon vacancy defective SiCNTs are sensitive to their chirality.
Cocoletzi, Influence of point defects on the structural and electronic properties of SiC nanotubes, Central European Journal of Chemistry 12 (2014), 53
Andriotis, Structure and stability of SiC nanotubes, Phys.

Deep learning (DL) coupled with non-destructive techniques (NDT, DL-NDT) involving high volume, fast optical microscopy methods correlates industry accepted chemistry and physics-based etch and diffraction techniques for defect characterization.
Deep learning coupled with non-destructive fast optical microscopy methods is shown for whole wafer 150 mm and 200 mm 4H-SiC wafers to correlate industry accepted chemistry and physics based etch and diffraction techniques for defect characterization.
In comparing the NDT density with corresponding etch density for TD and BPD’s (Fig. 4 (a), (b)) the slope of the line and correlation coefficient is close to 1, indicating the DL-NDT algorithm infers the defect structure from the PL signal as labeled and trained with etch features.
Deep learning coupled with non-destructive high volume fast optical microscopy methods is shown to correlate industry accepted chemistry and physics based etch and diffraction techniques for defect characterization.

The Microwave Synthesis and Photocatalytic Activity of InVO4 Nanocrystalline Jian Lei , Quanxin Zhu, Wanqing Xiong, Wenxiang Ye and Xue-Hong Liao* Hubei Key Laboratory of Economic Forest Germplasm Improvement and Resources Comprehensive Utilization, The College of Chemistry and Life Science, Huanggang Normal University, Huanggang, 438000, Hubei, P.R.China Email:liaoxuehong@sohu.com Keywords: Nanocrystalline Indium vanadate; Microwave synthesis; Photocatalysis; Methyl orange Abstract: Indium vanadate nanocrystalline was prepared by Indium chloride, vanadium(V) oxide as raw materials and sodium dodecyl sulfate as surfactant under microwave irradiation.
The study shows that InVO4 has two kinds of crystal structure: orthorhombic and monoclinic, which band gap is only 2.0 eV.
Fig.1 X-ray diffraction pattern of as-prepared sample Fig.2 SEM image of InVO4 nanoparticles Fig. 2 is the SEM image of InVO4 nanoparticles, From the SEM photos of InVO4 catalyst, most are powder-like structure.
From the SEM photos of InVO4 catalyst, most are powder-like structure.
Chinese journal of inorganic Chemistry, 20(2004)195-198

Lin1,2,b and Yuichi Fujimura2,3,c 1Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan 2Department of Applied Chemistry, Institute of Molecular Science, National Chiao-Tung University, Hsin-Chu 300, Taiwan 3Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan amineo@gate.sinica.edu.tw, bsheng@mail.nctu.edu.tw, cfujimurayuichi@m.tohoku.ac.jp Keywords: p-electron ring current, ultrafast optical switching devices, (P)-2,2’-biphenol, coherent excitation of electronic states, linearly polarized lasers Abstract.
The molecular parameters needed to quantum dynamical simulations of coherent ring currents are electronic energies and transition moment vectors in a simplified model, which are shown in Fig. 1 together with the geometrical structure of (P)-2,2’-biphenol.
Geometrical structure and the transition moment vectors (,, and ) between the ground g and three excited states a, b1 and b2 of (P)-2,2’-biphenol.
The inserted figure in the right-hand side shows the energies of the three excited states, which are evaluated at the geometrical structure in the ground state.

Introduction The ability of surfactants to self-assemble into well-defined structures allows the design and preparation of inorganic materials with nanosized dimensions.
The structure formed by selfassembly of the surfactant is used as a kind of template for the synthesis [1].
Mesoporous SBA-15 silica attracted much attention when it was first reported by Zhao et al. [2], due to their marked hydrothermal stability, amenability to synthesis in a wide range of pore sizes (4.6 - 30 nm), and particle morphologies as well as their potential applications in gas or liquid separation, catalysis, sensors and host/guest chemistry.
Up to date, most studies have focused on the synthesis, formation mechanisms, characterization, modification and inclusion chemistry of mesoporous powder products [3,4].
Structure of organofunctionalised SBA-15 silica modified with 2-benzothiazolethiol.

Theoretical Investigations of the Mechanism of CO2-CH4 Reforming Reaction Catalyzed by Transition Metals (Pt, Rh, Ru) under a Supercritical Condition Wenyuan Xu 1,a, Nana Xu 1,b, Wei Long 1, Lin Hu 1, Sanguo Hong 2 1 Department of Chemistry and Chemical Engineering, East China Jiaotong University, Nanchang 330013, China 2 School of science, Nanchang University, Nanchang 330013, China axwy1027@sina.com btiaopidechengzi@126.com Keywords: CO2-CH4 reforming, supercritical condition, mental oxides’ reforming, transition metal catalyst Abstract.
With the aim of characterizing the obtained structure as minima or as transition states on the potential energy surface, the geometrical structures of reactants, products and transition states were optimized at the B3LYP/Lanl2dz level along with analytic vibration frequency, geometry and energy calculations.
Journal of Molecular Structure, 2004, Vol. 673, 181~189
Computational and Theoretical Chemistry, 2011, Vol. 963, 51~54.

Photoluminescence of 10H-SiC Anne Henry1,a, Hiroshi Yano2,3,b and Tomoaki Hatayama2,c 1 Department of Physics, Chemistry and Biology, Linköping University, Sweden 2 Graduate School of Materials Science, Nara Institute of Science and Technology, 8916-5 Takayama, Ikoma, Nara 630-0192, Japan 3 present address: Graduate School of Pure and Applied Sciences, University of Tsukuba,11-1 Tennodai, Tsukuba, Ibaraki 305-8573, Japan a anhen@ifm.liu.se, b yano.hiroshi.fn@u.tsukuba.ac.jp and c phi3ic3@bma.biglobe.ne.jp Keywords: 10H-SiC, photoluminescence, excitonic band gap, ionization.
The growth was done with standard chemistry (Hydrogen, silane and propene with a typical C/Si of 1.2) at 1550 oC for two hours.
Fig.1: a) Selected area diffraction pattern observed from the substrate and b) atomic structure of 10H-SiC b) Characterization procedure.
Selected area diffraction (Fig.1a) has proven the crystallographic structure of 10H-SiC which can be associated to (3322) with the Zhdanov a) notation.
From the position of the FELA (or FE76.9) observed at 2943.7 meV (Fig.3) the excitonic band gap can be obtained as 3020.6 meV, value acceptable if a hexagonality of 40% is taken (see Fig.4a) which has been predicted as the most stable structure for 10H-SiC [5] and confirmed by our Selected area diffraction (Fig.1a).

In order to improve its properties, it is important to understand the growth mechanisms and defect chemistry of ZnO.
Regarding the defect chemistry of ZnO, there have been several experimental studies reported, and the self-diffusion of zinc and oxygen has provided direct information on defects in ZnO.
Crystallographically, ZnO crystal has a symmetric wurtzite structure, and is composed of close-packed O2- and Zn2+ layers piled alternatively along the c-axis [8].
Comparing with 18O images, the structure and density of the high-diffusivity paths in the thin film were stabilized by pre-annealing.
The ZnO crystal had a hexagonal shape, indicating a wurtzite structure.