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Crystals, Volume 9, Issue 1

2019 January - 56 articles

Cover Story: Two new members of the [Mn6] family of Single-Molecule Magnets (SMMs), of formula [Mn63-O)2(H2N-sao)6(dmf)8](ClO4)2 (1) and [Mn63-O)2(H2N-sao)6(py)6(EtOH)2][ReO4]2•4EtOH (2), have been synthesized and characterized structurally and magnetically. The cationic nature of these nanomagnets suggests that they could be used as suitable building blocks for preparing new magnetic materials exhibiting additional functionalities, just by replacing the anion from another anionic species exhibiting further properties. View this paper.
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Articles (56)

  • Article
  • Open Access
62 Citations
6,529 Views
11 Pages

20 January 2019

AlCoCrFeNiNbx (x in molar ratio x = 0, 0.25, 0.5, 0.75, and 1.0) high-entropy alloy (HEA) coatings were manufactured on 304 stainless steel by laser cladding. The constituent phases, microstructures, chemical composition, micro-hardness and wear resi...

  • Article
  • Open Access
50 Citations
8,900 Views
9 Pages

Data-Driven Studies of Li-Ion-Battery Materials

  • Steven K. Kauwe,
  • Trevor David Rhone and
  • Taylor D. Sparks

18 January 2019

Batteries are a critical component of modern society. The growing demand for new battery materials—coupled with a historically long materials development time—highlights the need for advances in battery materials development. Understandin...

  • Article
  • Open Access
6 Citations
5,635 Views
18 Pages

18 January 2019

An iterative projection algorithm proposed previously for direct phasing of high-solvent-content protein crystals is extended to include non-crystallographic symmetry (NCS) averaging. For proper NCS, when the NCS axis is positioned, the molecular env...

  • Article
  • Open Access
6 Citations
8,290 Views
15 Pages

First-Principles Assessment of the Structure and Stability of 15 Intrinsic Point Defects in Zinc-Blende Indium Arsenide

  • Qing Peng,
  • Nanjun Chen,
  • Danhong Huang,
  • Eric R. Heller,
  • David A. Cardimona and
  • Fei Gao

17 January 2019

Point defects are inevitable, at least due to thermodynamics, and essential for engineering semiconductors. Herein, we investigate the formation and electronic structures of fifteen different kinds of intrinsic point defects of zinc blende indium ars...

  • Article
  • Open Access
12 Citations
6,315 Views
10 Pages

17 January 2019

The piezoelectric ringing phenomenon in Pockels cells based on the beta barium borate crystals was analyzed in this work. The investigation results show that piezoelectric ringing is caused by multiple high voltage pulses with a frequency in the rang...

  • Article
  • Open Access
6 Citations
3,882 Views
11 Pages

Tuning the Size, Shape and Density of γ′-GayFe4−yN Nanocrystals Embedded in GaN

  • Andrea Navarro-Quezada,
  • Thibaut Devillers,
  • Tian Li and
  • Alberta Bonanni

17 January 2019

Phase-separated semiconductor systems hosting magnetic nanocrystal (NCs) are attracting increasing attention, due to their potential as spintronic elements for the next generation of devices. Owing to their morphology- and stoichiometry-dependent mag...

  • Article
  • Open Access
10 Citations
4,182 Views
8 Pages

17 January 2019

In this study, we synthesized a novel N-heteroacene-based liquid material 6,7-bis(3,7,11-trimethyl-1-dodecyloxy)-2,3-difurylquinoxaline (RPNL 1), containing two furan rings. We revealed that RPNL 1 adopted a disordered liquid at 25 °C, determined...

  • Article
  • Open Access
4 Citations
9,585 Views
19 Pages

17 January 2019

The structural organization of water and aqueous solutions under an optical microscope in a layer with a thickness of 8 μm was investigated. It is shown that under room conditions water (including “ultrapure” water) and aqueous solutio...

  • Article
  • Open Access
11 Citations
8,328 Views
13 Pages

17 January 2019

Clopidogrel bisulfate (CLP) form-I crystals are irregular, rectangular-shaped crystals. Because of their poor compressibility, flowability and their strong surface tension, manufacturers apply spherical crystallization methods to produce CLP form-I s...

  • Article
  • Open Access
12 Citations
4,385 Views
11 Pages

16 January 2019

The luminescence properties of RAl3(BO3)4 (RAB, with R = Pr, Eu, Tb, Dy, Tm, Yb) huntite crystals grown from K2Mo3O10 flux were systematically characterized in order to investigate their excitation dynamics, with particular reference to the concentra...

  • Article
  • Open Access
8 Citations
4,407 Views
12 Pages

16 January 2019

The 1D {[CuII(cyclam)]3[WV(CN)8]2.5H2O}n (1·5H2O) (cyclam = 1,4,8,11-tetraazacyclotetradecane) coordination polymer of ladder topology can be obtained in water-alcohol solution from [Cu(cyclam)]2+ and [W(CN)8]3− building blocks. Upon deh...

  • Article
  • Open Access
15 Citations
4,688 Views
18 Pages

16 January 2019

Optical microscopy technique is used to investigate the thermal and the spatio-temporal properties of the spin-crossover single crystal [Fe(2-pytrz) 2 {Pt(CN) 4 }]·3H 2 O, which exhibits a first-order spin transition from a full...

  • Article
  • Open Access
18 Citations
4,909 Views
14 Pages

Research on the High-Performance Electrochemical Energy Storage of a NiO@ZnO (NZO) Hybrid Based on Growth Time

  • Jiahong Zheng,
  • Runmei Zhang,
  • Kangkang Cheng,
  • Ziqi Xu,
  • Pengfei Yu,
  • Xingang Wang and
  • Shifeng Niu

16 January 2019

A NiO@ZnO (NZO) hybrid with different reaction times was successfully synthesized by a green hydrothermal method. After comparison, it was found that hydrothermal time had a great impact on specific capacitance. As a supercapacitor electrode of NZO-1...

  • Article
  • Open Access
3 Citations
4,900 Views
8 Pages

15 January 2019

Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230 °C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with un...

  • Article
  • Open Access
7 Citations
3,684 Views
13 Pages

15 January 2019

We use the phenomenological continuum model for inorganic scintillators proposed by the author to give decay time estimates for four scintillators previously studied, namely NaI:Tl, CaF2, Gd2SiO5Ce (GSO:Ce), and LaCl3:Ce. We show that, in order to ob...

  • Article
  • Open Access
13 Citations
5,389 Views
15 Pages

15 January 2019

The full 207 Pb chemical shift (CS) tensor of lead in the mineral anglesite, PbSO 4 , was determined from orientation-dependent nuclear magnetic resonance (NMR) spectra of a large natural single crystal, using a global fit over two rot...

  • Feature Paper
  • Article
  • Open Access
63 Citations
12,752 Views
10 Pages

Tripling the Optical Efficiency of Color-Converted Micro-LED Displays with Funnel-Tube Array

  • Fangwang Gou,
  • En-Lin Hsiang,
  • Guanjun Tan,
  • Yi-Fen Lan,
  • Cheng-Yeh Tsai and
  • Shin-Tson Wu

14 January 2019

Color-converted micro-LED displays consist of a mono-color micro-LED array and color conversion materials to achieve full color, while relieving the burden of epitaxial growth of three-color micro-LEDs. However, it usually suffers from low efficiency...

  • Article
  • Open Access
13 Citations
5,332 Views
27 Pages

Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations

  • Daniel Fruchart,
  • Sonia Haj-Khlifa,
  • Patricia de Rango,
  • Mohamed Balli,
  • Ryszard Zach,
  • Wieslaw Chajec,
  • Piotr Fornal,
  • Jan Stanek,
  • Stanislaw Kaprzyk and
  • Janusz Tobola

13 January 2019

The series of Mn2−xFexP1−ySiy types of compounds form one of the most promising families of magnetocaloric materials in term of performances and availability of the elemental components. Potential for large scale application needs to opti...

  • Article
  • Open Access
6 Citations
5,292 Views
16 Pages

Steric Effects of Alkyl Substituents at N-Donor Bidentate Amines Direct the Nuclearity, Bonding and Bridging Modes in Isothiocyanato-Copper(II) Coordination Compounds

  • Franz A. Mautner,
  • Roland C. Fischer,
  • Ana Torvisco,
  • Maher M. Henary,
  • Andrew Milner,
  • Hunter DeVillier,
  • Tolga N. V. Karsili,
  • Febee R. Louka and
  • Salah S. Massoud

13 January 2019

A series of Cu(II)-isothiocyanato coordination compounds derived from sterically hindered N-donor diamines were synthesized and characterized: catena-[Cu(Me3en)(μ-NCS)(NCS)] (1), catena-[Cu(NEt2Meen)(μ-NCS)(NCS)] (2), catena-[Cu(N,N,2,2-Me4pn)(...

  • Article
  • Open Access
10 Citations
6,718 Views
22 Pages

On the Nature of Luminescence Thermochromism of Multinuclear Copper(I) Benzoate Complexes in the Crystalline State

  • Katarzyna N. Jarzembska,
  • Michał Hapka,
  • Radosław Kamiński,
  • Wojciech Bury,
  • Sylwia E. Kutniewska,
  • Dariusz Szarejko and
  • Małgorzata M. Szczęśniak

12 January 2019

A model luminescent [(PhCO2)4Cu4] (Cu4) complex in the crystalline state was investigated via combined crystallographic and spectroscopic techniques contributed substantially by theoretical modelling. The complex appeared to exhibit luminescence ther...

  • Article
  • Open Access
2 Citations
3,522 Views
9 Pages

11 January 2019

Scratch testing is a contact mechanics based nondestructive testing method that, if correctly evaluated, can give a lot of information about the material and tribological behavior of a material. In contrast to the situation with another contact-based...

  • Communication
  • Open Access
4 Citations
4,433 Views
13 Pages

Substituted Azolium Disposition: Examining the Effects of Alkyl Placement on Thermal Properties

  • Karel Goossens,
  • Lena Rakers,
  • Tae Joo Shin,
  • Roman Honeker,
  • Christopher W. Bielawski and
  • Frank Glorius

11 January 2019

We describe the thermal phase characteristics of a series of 4,5-bis(n-alkyl)azolium salts that were studied using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), polarized-light optical microscopy (POM), and synchrotron-ba...

  • Article
  • Open Access
13 Citations
9,264 Views
14 Pages

11 January 2019

The search for a simple and efficient method for the synthesis of sulfonamide and sulfonate derivatives under mild and eco-friendly conditions is of continuing interest. Sulfonyl chlorides are still the best choice as starting materials for the prepa...

  • Article
  • Open Access
9 Citations
7,269 Views
9 Pages

Single Crystal Diamond Deposited by Dual Radio-Frequency Plasma Jet CVD with High Growth Rate

  • Hao Liu,
  • Jia-jun Li,
  • Zhen-rui Li,
  • Kai Xu,
  • Zheng-jia Chen and
  • Guang-chao Chen

10 January 2019

Single crystal diamonds were deposited on high pressure high temperature (HPHT) substrate with high growth rate, up to 18.5 μm/h, by using dual radio-frequency inductive coupled plasma jet. The methane flux was found to influence the growth rate o...

  • Article
  • Open Access
20 Citations
5,625 Views
12 Pages

Synthesis of NiMoO4/3D-rGO Nanocomposite in Alkaline Environments for Supercapacitor Electrodes

  • Shahrzad Arshadi Rastabi,
  • Rasoul Sarraf Mamoory,
  • Fatemeh Dabir,
  • Nicklas Blomquist,
  • Manisha Phadatare and
  • Håkan Olin

9 January 2019

Although Graphene oxide (GO)-based materials is known as a favorable candidate for supercapacitors, its conductivity needs to be increased. Therefore, this study aimed to investigate the performance of GO-based supercapicitor with new methods. In thi...

  • Article
  • Open Access
6 Citations
6,479 Views
18 Pages

7 January 2019

Phenanthroline dioxothiadiazoles are redox active molecules that form stable radical anions suitable for the construction of supramolecular magnetic materials. Herein, the preparation, structures and magnetic properties of bis(triphenylphosphine)imin...

  • Article
  • Open Access
9 Citations
4,480 Views
10 Pages

Bismuth-Based Oxyborate Piezoelectric Crystals: Growth and Electro-Elastic Properties

  • Feifei Chen,
  • Xiufeng Cheng,
  • Fapeng Yu,
  • Chunlei Wang and
  • Xian Zhao

6 January 2019

The non-centrosymmetric bismuth-based oxyborate crystals have been extensively studied for non-linear optical, opto-electric and piezoelectric applications. In this work, single crystal growth and electro-elastic properties of α-BiB3O6 (α...

  • Review
  • Open Access
10 Citations
4,526 Views
13 Pages

Ion Irradiation for Planar Patterning of Magnetic Materials

  • Takeshi Kato,
  • Daiki Oshima and
  • Satoshi Iwata

4 January 2019

Kr+ ion dose dependence of the magnetic properties of MnGa films and the fabrication of planar-patterned MnGa films by the local ion irradiation technique were reviewed. The magnetization and perpendicular anisotropy of the MnGa vanished at an ion do...

  • Article
  • Open Access
7 Citations
4,871 Views
11 Pages

BaWO4:Ce Single Crystals Codoped with Na Ions

  • Slawomir M. Kaczmarek,
  • Grzegorz Leniec,
  • Tomasz Bodziony,
  • Hubert Fuks,
  • Zbigniew Kowalski,
  • Winicjusz Drozdowski,
  • Marek Berkowski,
  • Michal Głowacki,
  • Marcin E. Witkowski and
  • Michal Makowski

4 January 2019

Single crystals of BaWO4, BaWO4: 0.5 at. % Ce; BaWO4: 1 at. % Ce; BaWO4: 0.5 at. % Ce, 1 at. % Na; and BaWO4: 1 at. % Ce, 2 at. % Na were grown from an inductively heated iridium crucible by the Czochralski method on a Malvern MSR4 puller. They were...

  • Article
  • Open Access
11 Citations
5,628 Views
14 Pages

3 January 2019

Five distinct crystal structures, based on experimental data or constructed manually, of ionic liquid [C14Mim][NO3] were heated in NPT molecular dynamics simulations under the same pressure such that they melted into the liquid crystal (LC) phase and...

  • Article
  • Open Access
4 Citations
4,134 Views
15 Pages

1 January 2019

The development of drug-resistance and high morbidity rates due to life-threatening fungal infections account for a major global health problem. A new antifungal imidazole-based oximino ester 5 has been prepared and characterized with the aid of diff...

  • Article
  • Open Access
8 Citations
4,065 Views
10 Pages

31 December 2018

Two new members of the [Mn6] family of single-molecule magnets (SMMs) of formulae [Mn63-O)2(H2N-sao)6(dmf)8](ClO4)2 (1) and [Mn63-O)2(H2N-sao)6(py)6(EtOH)2][ReO4]2·4EtOH (2), (dmf = N,N′-dimethylformamide, py = pyridine, H2N-sa...

  • Article
  • Open Access
8 Citations
5,905 Views
12 Pages

31 December 2018

2-(Adamantan-1-yl)-2H-isoindole-1-carbonitrile (1) has been identified as a neurobiological fluorescent ligand that may be used to develop receptor and enzyme binding affinity assays. Compound 1 was synthesized using an optimized microwave irradiatio...

  • Article
  • Open Access
5 Citations
5,406 Views
11 Pages

30 December 2018

The Scattered Photon Extraction (SPE™) based on the concept of TIR lens combined with remote phosphor is proven to be one of the effective solutions for improving white LED efficiency, and it provides the omnidirectional light distribution for...

  • Article
  • Open Access
32 Citations
7,445 Views
12 Pages

Annealing Control on the Anatase/Rutile Ratio of Nanostructured Titanium Dioxide Obtained by Sol-Gel

  • V. H. Castrejón-Sánchez,
  • Roberto López,
  • M. Ramón-González,
  • Ángeles Enríquez-Pérez,
  • M. Camacho-López and
  • G. Villa-Sánchez

30 December 2018

According to the different phases at which titanium dioxide (TiO2) crystallizes, previous studies have shown that anatase is more efficient for photocatalysis than rutile. Nowadays, the synergetic effect is well-accepted between anatase and rutile as...

  • Article
  • Open Access
23 Citations
6,654 Views
12 Pages

Anion Influence on Spin State in Two Novel Fe(III) Compounds: [Fe(5F-sal2333)]X

  • Sriram Sundaresan,
  • Irina A. Kühne,
  • Conor T. Kelly,
  • Andrew Barker,
  • Daniel Salley,
  • Helge Müller-Bunz,
  • Annie K. Powell and
  • Grace G. Morgan

29 December 2018

Structural and magnetic data on two iron (III) complexes with a hexadentate Schiff base chelating ligand and Cl or BPh4 counterions are reported. In the solid state, the Cl complex [Fe(5F-sal2333)]Cl, 1, is high spin between 5&nd...

  • Article
  • Open Access
27 Citations
7,729 Views
14 Pages

Modulating and Orienting an Anisotropic Zn-Based Metal Organic Framework for Selective CH4/CO2 Gas Separation

  • Luke Huelsenbeck,
  • Karl S. Westendorff,
  • Yuntao Gu,
  • Silvia Marino,
  • Sangeun Jung,
  • William S. Epling and
  • Gaurav Giri

29 December 2018

This work investigates the morphological control of the anisotropic [Zn2(NDC)2(DABCO)]n MOF (Metal organic framework) and the subsequent adsorption characteristics for CO2/CH4 gas separation. Morphology of the MOF crystals is controlled by the use of...

  • Communication
  • Open Access
55 Citations
10,862 Views
11 Pages

28 December 2018

We investigated the removal of a harmful anionic dye, acid orange 7 (AO7), from aqueous solution using metal-organic frameworks (MOFs). We prepared four different MOFs (ZIF-8, ZIF-67, UiO-66, UiO-66-NH2) by solvothermal reactions and then tested thei...

  • Article
  • Open Access
14 Citations
4,277 Views
10 Pages

28 December 2018

We investigate conformational dynamics in the smectic A phase formed by the mesogenic ionic liquid 1-tetradecyl-3-methylimidazolium nitrate. Solid-state high-resolution 13C nuclear magnetic resonance (NMR) spectra are recorded in the sample with the...

  • Article
  • Open Access
12 Citations
5,820 Views
12 Pages

Synthesis and Adsorbing Properties of Tabular {001} Calcite Crystals

  • Nives Matijaković,
  • Giulia Magnabosco,
  • Francesco Scarpino,
  • Simona Fermani,
  • Giuseppe Falini and
  • Damir Kralj

27 December 2018

One of the most common crystal habits of the thermodynamically stable polymorph of calcium carbonate, calcite, is the rhombohedral one, which exposes {10.4} faces. When calcite is precipitated in the presence of Li+ ions, dominantly {00.1} faces appe...

  • Article
  • Open Access
27 Citations
6,379 Views
12 Pages

26 December 2018

Mixed matrix membranes (MMMs) containing zeolitic imidazolite framework-8 (ZIF-8) and UiO-66 as microporous fillers were prepared and evaluated their potential for the separation of a gas mixture produced by a methane reforming process. Hydrothermal...

  • Article
  • Open Access
10 Citations
4,082 Views
16 Pages

Bioinspired Mineralization of Type I Collagen Fibrils with Apatite in Presence of Citrate and Europium Ions

  • Jaime Gómez Morales,
  • Raquel Fernández Penas,
  • Cristóbal Verdugo-Escamilla,
  • Lorenzo Degli Esposti,
  • Francesca Oltolina,
  • Maria Prat,
  • Michele Iafisco and
  • Jorge Fernando Fernández Sánchez

25 December 2018

Synthetic nanostructured hybrid composites based on collagen and nanocrystalline apatites are interesting materials for the generation of scaffolds for bone tissue engineering. In this work, mineralized collagen fibrils were prepared in the presence...

  • Review
  • Open Access
29 Citations
10,042 Views
26 Pages

25 December 2018

Propylene/propane and ethylene/ethane separations are performed by energy-intensive distillation processes, and membrane separation may provide substantial energy and capital cost savings. Zeolitic imidazolate frameworks (ZIFs) have emerged as promis...

  • Article
  • Open Access
15 Citations
4,350 Views
12 Pages

Thermal Expansion and Electro-Elastic Features of Ba2TiSi2O8 High Temperature Piezoelectric Crystal

  • Chao Jiang,
  • Feifei Chen,
  • Fapeng Yu,
  • Shiwei Tian,
  • Xiufeng Cheng,
  • Shujun Zhang and
  • Xian Zhao

24 December 2018

A high-quality Ba2TiSi2O8 (BTS) single crystal was grown using the Czochralski (Cz) pulling method. The thermal expansion and electro-elastic properties of BTS crystal were studied for high temperature sensor applications. The relative dielectric per...

  • Perspective
  • Open Access
40 Citations
7,819 Views
12 Pages

24 December 2018

Materials science is a fast-evolving area that aims to uncover functional materials with ever more sophisticated properties and functions. For this to happen, new methodologies for materials synthesis, optimization, and preparation are desired. In th...

  • Article
  • Open Access
22 Citations
4,655 Views
14 Pages

Reactive Mechanism of Cu2ZnSnSe4 Thin Films Prepared by Reactive Annealing of the Cu/Zn Metal Layer in a SnSex + Se Atmosphere

  • Liyong Yao,
  • Jianping Ao,
  • Ming-Jer Jeng,
  • Jinlian Bi,
  • Shoushuai Gao,
  • Guozhong Sun,
  • Qing He,
  • Zhiqiang Zhou,
  • Yi Zhang and
  • Liann-Be Chang
  • + 1 author

23 December 2018

Cu2ZnSnSe4 (CZTSe) thin films were prepared by a two-step process with the electrodeposition of a Cu/Zn metallic stack precursor followed by a reactive anneal under a Se + Sn containing atmosphere. We investigate the effect of the Sex and SnSex (x =...

  • Article
  • Open Access
6 Citations
4,497 Views
13 Pages

Twins in YAl3(BO3)4 and K2Al2B2O7 Crystals as Revealed by Changes in Optical Activity

  • Johannes Buchen,
  • Volker Wesemann,
  • Steffen Dehmelt,
  • Andreas Gross and
  • Daniel Rytz

22 December 2018

Many borate crystals feature nonlinear optical properties that allow for efficient frequency conversion of common lasers down into the ultraviolet spectrum. Twinning may degrade crystal quality and affect nonlinear optical properties, in particular i...

  • Review
  • Open Access
30 Citations
6,535 Views
33 Pages

Multifunctional Molecular Magnets: Magnetocaloric Effect in Octacyanometallates

  • Magdalena Fitta,
  • Robert Pełka,
  • Piotr Konieczny and
  • Maria Bałanda

22 December 2018

Octacyanometallate-based compounds displaying a rich pallet of interesting physical and chemical properties, are key materials in the field of molecular magnetism. The [M(CN)8]n− complexes, (M = WV, MoV, NbIV), are universal building blocks as...

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Crystals - ISSN 2073-4352