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Crystals, Volume 8, Issue 10

2018 October - 30 articles

Cover Story: The Hydrated KNbWO6 pyrochlore contains a main covalent framework of (NbV,WVI)O6 octahedra sharing vertices (in green), forming large cavities wherein K, H, and O’ are distributed at 32e, 96g, and 32e Wyckoff sites, respectively. Detail: A2O’sub-lattice of K and water molecules are highlighted as purple tetrahedra. Only ¼ of the vertices are actually occupied by K atoms (some atoms are hidden for the sake of clarity). View this paper
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Articles (30)

  • Article
  • Open Access
8 Citations
4,866 Views
18 Pages

Highly Visible Photoluminescence from Ta-Doped Structures of ZnO Films Grown by HFCVD

  • Víctor Herrera,
  • Tomás Díaz-Becerril,
  • Eric Reyes-Cervantes,
  • Godofredo García-Salgado,
  • Reina Galeazzi,
  • Crisóforo Morales,
  • Enrique Rosendo,
  • Antonio Coyopol,
  • Román Romano and
  • Fabiola G. Nieto-Caballero

22 October 2018

Tantalum-doped ZnO structures (ZnO:Ta) were synthesized, and some of their characteristics were studied. ZnO material was deposited on silicon substrates by using a hot filament chemical vapor deposition (HFCVD) reactor. The raw materials were a pell...

  • Article
  • Open Access
1 Citations
3,788 Views
8 Pages

Influence of Sputtered ZnO and Al:ZnO Top Layers on Magneto-Optic Responses of Yttrium Iron Garnet Films

  • Shinichiro Mito,
  • Satsuki Kikuchi,
  • Yasutoshi Ito,
  • Nana Ota and
  • Mitsuteru Inoue

22 October 2018

Zinc oxide (ZnO) is a promising material for combining with magneto-optic (MO) materials because it can propagate stable exciton-polaritons, with velocities considerably lower than that of photons in a vacuum. This study investigated the influence of...

  • Article
  • Open Access
4 Citations
3,678 Views
8 Pages

21 October 2018

Light sources tend to affect images captured in any automatic optical inspection (AOI) system. In this study, the effectiveness of metal-halide lamps, quartz-halogen lamps, and LEDs as the light sources in AOI systems for the detection of the third a...

  • Article
  • Open Access
8 Citations
3,864 Views
8 Pages

Cocrystal Assembled by Pyrene Derivative and 1,4-Diiodotetrafluorobenzene via a C=O···I Halogen Bond

  • Qi Feng,
  • Wenhui Huan,
  • Jiali Wang,
  • Fang Guo,
  • Jiadan Lu,
  • Guowang Diao and
  • Yaqi Shan

17 October 2018

Cocrystal formation is a strategy used to modify the solid-state properties of a given molecule. In this study, a new cocrystal assembled by 1,4-Diiodotetrafluorobenzene (1,4-DITFB) and a pyrene derivative, 1-acetyl-3-phenyl-5-(1-pyrenyl)-pyrazoline...

  • Brief Report
  • Open Access
1 Citations
4,825 Views
10 Pages

16 October 2018

Colonization of Campylobacter concisus in the gastrointestinal tract can lead to the development of inflammatory bowel disease (IBD). Plasmid-encoded C. concisus-secreted protein 1 (Csep1p) was recently identified as a putative pathogenicity marker a...

  • Article
  • Open Access
17 Citations
3,715 Views
9 Pages

13 October 2018

Noncovalent interactions in the single crystal of 3,6-Cl2-closo-1,2-P2B10H8 and in the crystal of closo-1,7-P2B10Cl10•toluene were analyzed by means of quantum chemical computations. The crystal packing in the second crystal was dominated by num...

  • Article
  • Open Access
11 Citations
4,541 Views
18 Pages

A Phosphonic Acid Anchoring Analogue of the Sensitizer P1 for p-Type Dye-Sensitized Solar Cells

  • Y. Maximilian Klein,
  • Nathalie Marinakis,
  • Edwin C. Constable and
  • Catherine E. Housecroft

12 October 2018

We report the synthesis and characterization of the first example of an organic dye, PP1, for p-type dye-sensitized solar cells (DSCs) bearing a phosphonic acid anchoring group. PP1 is structurally related to the benchmarking dye, P1, which possesses...

  • Article
  • Open Access
10 Citations
3,413 Views
14 Pages

Study of Detector-Grade CdMnTe:In Crystals Obtained by a Multi-Step Post-Growth Annealing Method

  • Pengfei Yu,
  • Yongren Chen,
  • Wei Li,
  • Wenfei Liu,
  • Bin Liu,
  • Jie Yang,
  • Kun Ni,
  • Lijun Luan,
  • Jiahong Zheng and
  • Wanqi Jie
  • + 4 authors

11 October 2018

A multi-step annealing method was successfully applied to inclusions reduction and resistivity improvement of CdMnTe:In (CMT:In) single crystals with high resistivity, including a Cd atmosphere annealing step followed by a Te atmosphere annealing ste...

  • Review
  • Open Access
28 Citations
5,866 Views
10 Pages

The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

  • Flora Meilleur,
  • Leighton Coates,
  • Matthew J. Cuneo,
  • Andrey Kovalevsky and
  • Dean A. A. Myles

11 October 2018

The IMAGINE and MaNDi instruments, located at Oak Ridge National Laboratory High Flux Isotope Reactor and Spallation Neutron Source, respectively, are powerful tools for determining the positions of hydrogen atoms in biological macromolecules and the...

  • Article
  • Open Access
3 Citations
4,070 Views
10 Pages

10 October 2018

The potential applications of quasicrystals (QCs) in automotive and aerospace industries requires the investigation of their fracture and failure mechanisms under dynamic loading conditions. In this study, Al–Cr–Fe powders were consolidated into pell...

  • Article
  • Open Access
15 Citations
8,190 Views
15 Pages

Frequency Conversion in KTP Crystal and Its Isomorphs

  • Sergey Gagarskiy,
  • Sergey Grechin,
  • Pioter Druzhinin,
  • Kiyoshi Kato,
  • David Kochiev,
  • Pavel Nikolaev and
  • Nobihuro Umemura

10 October 2018

We report the results of an analysis of the functional capabilities of the KTP crystal and its isomorphs for nonlinear-optical frequency conversion of all types of interactions in the transparency range of the crystal. The possibility of implementing...

  • Article
  • Open Access
29 Citations
5,389 Views
9 Pages

9 October 2018

The present study envisages the preparation of chromium substituted Nickel ferrite NiCrxFe2−xO4 (x = 0~1.0) powders by a sol-gel auto-combustion method. X-ray diffraction analysis (XRD) showed that the specimens with x > 0.2 exhibited a sing...

  • Article
  • Open Access
10 Citations
6,906 Views
10 Pages

8 October 2018

The membranes of a pillared-layer structure Metal-Organic Framework (MOF), [Ni(HBTC)(4,4′-bipy)] (HBTC = 1,3,5-Benzenetricarboxylic acid, 4,4′-bipy = 4,4′-bipyridine), have been in situ fabricated on Nickel foam substrate. The orien...

  • Article
  • Open Access
9 Citations
4,530 Views
16 Pages

Evolution of Spin-Crossover Transition in Hybrid Crystals Involving Cationic Iron Complexes [Fe(III)(3-OMesal2-trien)]+ and Anionic Gold Bis(dithiolene) Complexes Au(dmit)2 and Au(dddt)2

  • Nataliya G. Spitsyna,
  • Yuri N. Shvachko,
  • Denis V. Starichenko,
  • Erkki Lahderanta,
  • Anton A. Komlev,
  • Leokadiya V. Zorina,
  • Sergey V. Simonov,
  • Maksim A. Blagov and
  • Eduard B. Yagubskii

3 October 2018

Hybrid ion-pair crystals involving hexadentate [Fe(III)(3-OMesal2-trien)]+ spin-crossover (SCO) cationic complexes and anionic gold complexes [Au(dmit)2] (1) (dmit = 4,5-dithiolato-1,3-dithiole-2-thione) and [Au(dddt)2] (2) (dddt = 5,6-...

  • Article
  • Open Access
7 Citations
4,408 Views
10 Pages

30 September 2018

A new nonlinear optical crystals fluoride carbonate, Na4Yb(CO3)3F, has been synthesized by mild hydrothermal method. The Na4Yb(CO3)3F crystallizes in the noncentrosymmetric space group Cc (no. 9) with the lattice parameters a = 8.018(3), b = 15.929(5...

  • Article
  • Open Access
5 Citations
4,453 Views
6 Pages

A Crystallographic Study on the Growth of Partially Faceted MnSn2 Phase during Solidification Process

  • Lei Li,
  • Yuantong Bi,
  • Chunyan Ban,
  • Haitao Zhang,
  • Tie Liu,
  • Xiangjie Wang,
  • Claude Esling and
  • Jianzhong Cui

29 September 2018

The growth of MnSn2 phase during the solidification process of Sn-Mn alloy was crystallographically investigated. The results show that the non-faced spherical caps of the MnSn2 crystals follow the continuous growth mechanism to grow rapidly along th...

  • Review
  • Open Access
142 Citations
15,352 Views
26 Pages

27 September 2018

Microwave energy has been in use for many applications for more than 50 years, from communication, food processing, and wood drying to chemical reactions and medical therapy. The areas, where microwave technology is applied, include drying, calcinati...

  • Feature Paper
  • Article
  • Open Access
18 Citations
5,327 Views
14 Pages

NMR Crystallography of the Polymorphs of Metergoline

  • Jiri Czernek,
  • Martina Urbanova and
  • Jiri Brus

25 September 2018

Two polymorphs of the drug compound metergoline (C25H29N3O2) were investigated in detail by solid-state NMR measurements. The results have been analysed by an advanced procedure, which uses experimental input together with the results of quantum chem...

  • Article
  • Open Access
4 Citations
3,755 Views
7 Pages

Interference Induced Enhancement of Magneto-Optical Effect in Pt/TbCo Hetero-Structured Films

  • Syougo Iemoto,
  • Satoshi Sumi,
  • Pham Van Thach,
  • Hiroyuki Awano and
  • Masamitsu Hayashi

24 September 2018

Magnetic films with a heavy metal layer show strong interfacial interaction of spin-orbit. Spin-orbit interaction is one of the key technologies for spintronics. In this paper, we measured magneto-optical Kerr spectra of Pt/TbCo hetero-structure film...

  • Article
  • Open Access
15 Citations
5,633 Views
16 Pages

Solvent Effects on the Spin-Transition in a Series of Fe(II) Dinuclear Triple Helicate Compounds

  • Alexander R. Craze,
  • Mohan M. Bhadbhade,
  • Cameron J. Kepert,
  • Leonard F. Lindoy,
  • Christopher E. Marjo and
  • Feng Li

23 September 2018

This work explores the effect of lattice solvent on the observed solid-state spin-transition of a previously reported dinuclear Fe(II) triple helicate series 13 of the general form [FeII2L3](BF4)4(CH3CN)n, where L is the Schiff base condensati...

  • Article
  • Open Access
3,585 Views
12 Pages

21 September 2018

The coordination polymer, namely, [Cd(H2L)(nobda)]n (1) was prepared by the reaction of Cd(NO3)2·4H2O with 4-amino-1,2-benzenedicarboxylic acid (H2nobda) and 1,4-di(1H-imidazol-4-yl)benzene (H2L), and characterized by single-crystal X-ray diff...

  • Article
  • Open Access
14 Citations
6,350 Views
11 Pages

21 September 2018

Zeolitic imidazolate framework (ZIF-8) membranes have attracted tremendous interest for their high-resolution kinetic separation of propylene/propane mixtures. Current polycrystalline ZIF-8 membranes are supported mostly on planar ceramic substrates...

  • Communication
  • Open Access
6 Citations
5,011 Views
8 Pages

21 September 2018

A single crystal X-ray diffraction study of the new compound [Rb([2.2.2]crypt)]2[Rb([18]crown−6)][HGe9]·4NH3 revealed the presence of the first protonated nine-atom germanide cluster [HGe9]3−. It forms from Rb4Ge9 in liquid ammonia...

  • Review
  • Open Access
31 Citations
13,055 Views
28 Pages

Basic Concepts and Recent Advances of Crystallographic Orientation Determination of Graphene by Raman Spectroscopy

  • Yucheng Lan,
  • Mobolaji Zondode,
  • Hua Deng,
  • Jia-An Yan,
  • Marieme Ndaw,
  • Abdellah Lisfi,
  • Chundong Wang and
  • Yong-Le Pan

21 September 2018

Graphene is a kind of typical two-dimensional material consisting of pure carbon element. The unique material shows many interesting properties which are dependent on crystallographic orientations. Therefore, it is critical to determine their crystal...

  • Article
  • Open Access
42 Citations
8,673 Views
12 Pages

Size-Controllable Synthesis of Zeolitic Imidazolate Framework/Carbon Nanotube Composites

  • Fang Fu,
  • Bin Zheng,
  • Lin-Hua Xie,
  • Huiling Du,
  • Shuangming Du and
  • Zhenhua Dong

20 September 2018

Composite materials that combine the unique properties of zeolitic imidazolate frameworks (ZIFs) and carbon nanotubes (CNTs) can give rise to novel applications. Here, ZIF-8/CNT composites were successfully prepared with and without the addition of a...

  • Article
  • Open Access
12 Citations
4,889 Views
11 Pages

The Crystal Structure of Defect KBB’O6 Pyrochlores (B,B’: Nb,W,Sb,Te) Revisited from Neutron Diffraction Data

  • Sergio F. Mayer,
  • Horacio Falcón,
  • María Teresa Fernández-Díaz and
  • José Antonio Alonso

20 September 2018

Three defect pyrochlores KNbWO6·xH2O, KNbTeO6 and KSbWO6 were synthesized by solid state reaction at 750 °C, from stoichiometric mixtures of K2C2O4, Sb2O3, Nb2O5, WO3 and 20% excess TeO2. A neutron powder diffraction (NPD) data analysis al...

  • Review
  • Open Access
14 Citations
4,954 Views
25 Pages

Non-Platinum Metal Complexes as Potential Anti-Triple Negative Breast Cancer Agents

  • Eva María Domínguez-Martís,
  • Diego Gabriel Mosteiro-Miguéns,
  • Lucía Vigo-Gendre,
  • David López-Ares,
  • Manuel Freire-Garabal,
  • María Jesús Núñez-Iglesias and
  • Silvia Novío

20 September 2018

Breast cancer (BC) is the most common cancer in women worldwide, with a mortality rate that has been forecasted to rise in the next decade. This is especially worrying for people with triple-negative BC (TNBC), because of its unresponsiveness to curr...

  • Article
  • Open Access
3 Citations
7,262 Views
16 Pages

Quasicrystal Tilings in Three Dimensions and Their Empires

  • Dugan Hammock,
  • Fang Fang and
  • Klee Irwin

20 September 2018

The projection method for constructing quasiperiodic tilings from a higher dimensional lattice provides a useful context for computing a quasicrystal’s vertex configurations, frequencies, and empires (forced tiles). We review the projection met...

  • Article
  • Open Access
14 Citations
4,685 Views
15 Pages

20 September 2018

We present a Molecular Dynamics study of mixtures of charged Gay-Berne (GB) ellipsoids and spherical Lennard-Jones (LJ) particles as models of ionic liquids and ionic liquid crystals. The GB system is highly anisotropic (GB(4.4,20.0,1,1)) and we obse...

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Crystals - ISSN 2073-4352