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Crystals, Volume 7, Issue 9

2017 September - 26 articles

Cover Story: The newly designed complex [Zn(L1)(EtOH)] (1) derived from coumarin-containing symmetric Salamo-type N2O2 bisoxime ligands, has been synthesized and characterized, and consists of one Zn(II) ion, one completely deprotonated unit and one coordinated ethanol molecule. The Zn(II) ion is penta-coordinated by two oxime nitrogen atoms and two phenoxo oxygen atoms; the four atoms are all from one deprotonated unit, and there is one oxygen atom from the coordinated ethanol molecule. The coordination environment around the Zn(II) ion is best described as a slightly distorted trigonal bipyramidal geometry. Six pairs of intermolecular hydrogen bonds are formed. In addition, the Cg3 of the pyrone rings as acceptors, forms a hydrogen bond with the protons of coordinated ethanol molecules. The space skeleton of complex 1 adopts a 3D supramolecular structure by the action of the O–H···O, C–H···O hydrogen bond, and C–H···π
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Articles (26)

  • Article
  • Open Access
10 Citations
13,526 Views
15 Pages

20 September 2017

While high-throughput screening for protein crystallization conditions have rapidly evolved in the last few decades, it is also becoming increasingly necessary for the control of crystal size and shape as increasing diversity of protein crystallograp...

(This article belongs to the Special Issue Biological and Biogenic Crystallization)
  • Article
  • Open Access
13 Citations
6,876 Views
15 Pages

18 September 2017

We investigate the microstructure evolution of Ag-alloyed PbTe compounds for thermoelectric (TE) applications with or without additions of 0.04 at. % Bi. We control the nucleation and temporal evolution of Ag2Te-precipitates in the PbTe-matrix applyi...

(This article belongs to the Special Issue Materials Processing and Crystal Growth for Thermoelectrics)
  • Editorial
  • Open Access
5 Citations
4,466 Views
6 Pages

Crystallography of Functional Materials

  • Winnie Wong-Ng and
  • Claudia J. Rawn

15 September 2017

The goal of this special issue is to obtain new insights into the roles of crystallography in functional materials. This special issue consists of eight papers illustrating the structure and property relationships, as well as applications of selected...

(This article belongs to the Special Issue Crystallography of Functional Materials)
  • Article
  • Open Access
8 Citations
8,411 Views
8 Pages

Structure of a Novel Spinel Li0.5Zn5/3Sb2.5/3O4 by Neutron and Synchrotron Diffraction Analysis

  • José Alfredo Marín-Romero,
  • Luis Edmundo Fuentes-Cobas,
  • Juan Rodríguez-Carvajal,
  • Carolina Tabasco-Novelo and
  • Patricia Quintana

15 September 2017

Zn7/3Sb2/3O4 is a secondary phase in ZnO-based varistors. Acceptor impurities, such as Li+, increase the resistivity. This effect is produced by a modification of the grain boundary barriers. The role of the cationic distribution in the mentioned eve...

(This article belongs to the Special Issue Advances in Synchrotron Radiation Applications for Crystal Structure Studies)
  • Article
  • Open Access
3 Citations
6,220 Views
20 Pages

15 September 2017

Below T CO = 157 K the quasi-one-dimensional charge-transfer salt (TMTTF) 2 SbF 6 undergoes a pronounced phase transition to a charge-ordered ground state. We have explored the non-linear and photoconductive behavior as a fun...

(This article belongs to the Special Issue Advances in Organic Conductors and Superconductors)
  • Article
  • Open Access
4 Citations
6,431 Views
10 Pages

The Effects of a Mixed Precipitant on the Morphology and Electrochemical Performance of LiNi0.5Mn1.5O4 Cathode Materials

  • Yang Shu,
  • Wenchao Yan,
  • Haisong Wang,
  • Jicheng Jiang,
  • Deye Sun,
  • Xiaodi Ma and
  • Yongcheng Jin

14 September 2017

A series of LiNi0.5Mn1.5O4 (LNMO) samples were synthesized by adjusting the molar ratio of (NH4)2CO3 to Na2CO3 in a mixed precipitant for evaluating the effects of ammonia from (NH4)2CO3 as a complexing agent and Na2CO3 as a precipitant on the morpho...

  • Article
  • Open Access
11 Citations
4,967 Views
11 Pages

12 September 2017

A novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium)(18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetr...

  • Article
  • Open Access
39 Citations
6,586 Views
15 Pages

12 September 2017

A newly designed Co(II) complex, [Co3(L)(OAc)2(CH3OH)2]·CH3OH, by the reaction of a bis(salamo)-type tetraoxime ligand (H4L) with Co(II) acetate tetrahydrate was synthesized and characterized by elemental analyses, IR, UV-vis spectra and single-cryst...

  • Article
  • Open Access
9 Citations
6,911 Views
13 Pages

11 September 2017

This study, using atomic-force and polarized-optical light (AFM and POM) microscopies on the extinction banded spherulites of poly(dodecamethylene terephthalate) (P12T) at high Tc = 110 °C with a film thickness kept at 1–3 µm, has verified that bande...

(This article belongs to the Special Issue Crystal Morphology and Assembly in Spherulites)
  • Article
  • Open Access
24 Citations
8,569 Views
11 Pages

8 September 2017

Here, we investigate the strengths of R–X···π interactions, involving both chlorine and bromine, in model systems derived from protein-ligand complexes found in the PDB. We find that the strengths of these interactions can vary significantly, with bi...

(This article belongs to the Special Issue Analysis of Halogen and Other σ-Hole Bonds in Crystals)
  • Review
  • Open Access
20 Citations
9,783 Views
21 Pages

Graphene Coated Nanoprobes: A Review

  • Fei Hui,
  • Shaochuan Chen,
  • Xianhu Liang,
  • Bin Yuan,
  • Xu Jing,
  • Yuanyuan Shi and
  • Mario Lanza

8 September 2017

Nanoprobes are one of the most important components in several fields of nanoscience to study materials, molecules and particles. In scanning probe microscopes, the nanoprobes consist on silicon tips coated with thin metallic films to provide additio...

(This article belongs to the Special Issue Integration of 2D Materials for Electronics Applications)
  • Article
  • Open Access
32 Citations
11,862 Views
8 Pages

5 September 2017

High-quality mixed-cation lead mixed-halide (FAPbI3)0.85(MAPbBr3)0.15 perovskite films have been prepared using CH3NH3Cl additives via the solvent engineering method. The UV/Vis result shows that the addition of additives leads to enhanced absorption...

(This article belongs to the Special Issue Metal Halide Perovskite Crystals: Growth Techniques, Properties and Emerging Applications)
  • Article
  • Open Access
27 Citations
10,308 Views
14 Pages

Spark Plasma Sintering of Tungsten Oxides WOx (2.50 ≤ x ≤ 3): Phase Analysis and Thermoelectric Properties

  • Felix Kaiser,
  • Paul Simon,
  • Ulrich Burkhardt,
  • Bernd Kieback,
  • Yuri Grin and
  • Igor Veremchuk

5 September 2017

The solid-state reaction of WO3 with W was studied in order to clarify the phase formation in the binary system W-O around the composition WOx (2.50 ≤ x ≤ 3) during spark plasma sintering (SPS). A new phase “WO2.82” is observed in the range 2.72 ≤ x...

(This article belongs to the Special Issue Materials Processing and Crystal Growth for Thermoelectrics)
  • Article
  • Open Access
62 Citations
10,570 Views
20 Pages

Calcium Sulfate Hemihydrate Whiskers Obtained from Flue Gas Desulfurization Gypsum and Used for the Adsorption Removal of Lead

  • Xiaoshu Wang,
  • Lei Wang,
  • Yan Wang,
  • Ruiqi Tan,
  • Xing Ke,
  • Xian Zhou,
  • Junjun Geng,
  • Haobo Hou and
  • Min Zhou

4 September 2017

Abstract: As a recycled material, flue gas desulfurization gypsum has been used to prepare calcium sulfate hemihydrate whisker (CSHW) through hydrothermal synthesis for several decades. However, the subsequent utilization of this resultant material h...

  • Article
  • Open Access
29 Citations
5,671 Views
18 Pages

Tri- and Mono-Nuclear Zinc(II) Complexes Based on Half- and Mono-Salamo Chelating Ligands

  • Xiu-Yan Dong,
  • Lei Gao,
  • Fei Wang,
  • Yang Zhang and
  • Wen-Kui Dong

1 September 2017

Two newly designed complexes, [Zn(L1)(EtOH)] (1) and [{Zn(L2)(OAc)2}2Zn]·CHCl3 (2) derived from salamo and half-salamo chelating ligands (H2L1 and HL2) have been synthesized and characterized by elemental analyses, IR and UV-VIS spectra, fluorescence...

(This article belongs to the Section Crystal Engineering)
  • Review
  • Open Access
40 Citations
10,255 Views
17 Pages

1 September 2017

p-Type doping represents a key step towards III-nitride (InN, GaN, AlN) optoelectronic devices. In the past, tremendous efforts have been devoted to obtaining high quality p-type III-nitrides, and extraordinary progress has been made in both material...

(This article belongs to the Special Issue Current and Future Directions in Crystal Growth by Molecular Beam Epitaxy (MBE))
  • Article
  • Open Access
47 Citations
9,191 Views
16 Pages

31 August 2017

A novel ultrathin g-C3N4 nanosheet-modified BiOCl hierarchical flower-like plate heterostructure (abbreviated as BC/CN) was constructed via a thermal polymerization of urea precursor followed with hydrolysis route. The as-prepared samples were well c...

(This article belongs to the Special Issue Functional Multi-Scale Crystals)
  • Review
  • Open Access
21 Citations
11,635 Views
22 Pages

31 August 2017

Two-dimensional semiconductors, such as transition-metal dichalcogenides (TMDs) and black phosphorous (BP), have found various potential applications in electronic and opto-electronic devices. However, several problems including low carrier mobility...

(This article belongs to the Special Issue Two-Dimensional Materials beyond Graphene and their Van der Waals Heterostructures)
  • Article
  • Open Access
19 Citations
7,554 Views
15 Pages

LPE Growth of Single Crystalline Film Scintillators Based on Ce3+ Doped Tb3−xGdxAl5−yGayO12 Mixed Garnets

  • Vitalii Gorbenko,
  • Tetiana Zorenko,
  • Sandra Witkiewicz,
  • Kazimierz Paprocki,
  • Oleg Sidletskiy,
  • Alexander Fedorov,
  • Paweł Bilski,
  • Anna Twardak and
  • Yuriy Zorenko

30 August 2017

The growth of single crystalline films (SCFs) with excellent scintillation properties based on the Tb1.5Gd1.5Al5−yGayO12:Ce mixed garnet at y = 2–3.85 by Liquid Phase Epitaxy (LPE) method onto Gd3Al2.5Ga2.5O12 (GAGG) substrates from BaO based flux is...

  • Article
  • Open Access
6 Citations
7,347 Views
11 Pages

29 August 2017

Crystallographic studies frequently involve the determination of a previously unknown crystal structure; General Structure Analysis System (GSAS)-II provides two methods for this purpose. The Monte Carlo/simulated annealing method is fundamentally st...

  • Article
  • Open Access
63 Citations
8,389 Views
8 Pages

Enhanced Thermoelectric Performance of Te-Doped Bi2Se3−xTex Bulks by Self-Propagating High-Temperature Synthesis

  • Rui Liu,
  • Xing Tan,
  • Guangkun Ren,
  • Yaochun Liu,
  • Zhifang Zhou,
  • Chan Liu,
  • Yuanhua Lin and
  • Cewen Nan

28 August 2017

Polycrystalline Bi2Se3−xTex (x = 0~1.5) samples were prepared by self-propagating high-temperature synthesis (SHS) combined with spark plasma sintering (SPS) and their thermoelectric properties were investigated. The SHS-SPS process can shorten the t...

(This article belongs to the Special Issue Materials Processing and Crystal Growth for Thermoelectrics)
  • Article
  • Open Access
1 Citations
5,418 Views
14 Pages

28 August 2017

The crystal structures of salts 6–9 prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid [(R)-MαNP acid, (R)-1] and (R)-1-arylethylamines [salt 6, (R)-1-(4-methoxyphenyl)ethylamine∙(R)-1; salt 7, (R)-1-(4-fluorophenyl)ethylamine∙(R)-1; salt 8, (R...

(This article belongs to the Special Issue Crystal Structure Analysis of Supramolecular and Porous Solids)
  • Article
  • Open Access
3 Citations
4,554 Views
11 Pages

Synthesis, Characterization and DFT Calculations of 4,5,12- and 1,8,12-trichloro-9,10-dihydro-9,10-ethanoanthracene-12-carbonitriles

  • Mujeeb A. Sultan,
  • Usama Karama,
  • Abdulrahman I. Almansour,
  • Saied M. Soliman,
  • Hazem A. Ghabbour and
  • Yahia N. Mabkhot

25 August 2017

The chlorinated ethanoanthracenes: 4,5,12- and 1,8,12-(trichloro-9,10-dihydro-9,10-ethanoanthracene-12-carbonitriles) (1 and 2), which are regioisomers, were synthesized and characterized using nuclear magnetic resonance (1H- and 13C-NMR) and infrare...

(This article belongs to the Special Issue Experimental and Theoretical Electron Density Analysis of Crystals)
  • Article
  • Open Access
9 Citations
6,506 Views
8 Pages

25 August 2017

We investigated the electro-optic characteristics of a polymer-stabilized, in-plane-switching (IPS) liquid crystal cell as the UV curing temperature was varied. We found that the response time of an IPS cell could be reduced through low-temperature U...

(This article belongs to the Section Liquid Crystals)
  • Article
  • Open Access
1 Citations
5,679 Views
13 Pages

25 August 2017

The electrostatic potential near to the oxygen atom in each of the cyclic ethers 2,5-dihydrofuran, oxetane and oxirane has been calculated by using a distributed multipole analysis (DMA) of each molecule. The electrostatic potential energy V(φ) of a...

(This article belongs to the Special Issue Analysis of Halogen and Other σ-Hole Bonds in Crystals)
  • Article
  • Open Access
6 Citations
4,735 Views
7 Pages

High Temperature Transport Properties of Yb and In Double-Filled p-Type Skutterudites

  • Dean Hobbis,
  • Yamei Liu,
  • Kaya Wei,
  • Terry M. Tritt and
  • George S. Nolas

23 August 2017

Yb and In double-filled and Fe substituted polycrystalline p-type skutterudite antimonides were synthesized by direct reaction of high-purity elements, followed by solid-state annealing and densification by hot pressing. The stoichiometry and filling...

(This article belongs to the Special Issue Materials Processing and Crystal Growth for Thermoelectrics)
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Crystals - ISSN 2073-4352