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Inorganics
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  This is an Open Access Journal Open Access journal
     ISSN (Online) 2304-6740
     Published by MDPI Homepage  [124 journals]
  • Inorganics, Vol. 2, Pages 377-395: Microstructural Study of IF-WS2 Failure
           Modes

    • Authors: Jamie Cook, Steven Rhyans, Lou Roncase, Garth Hobson, Claudia Luhrs
      Pages: 377 - 395
      Abstract: This manuscript summarizes the failure mechanisms found in inorganic fullerene-type tungsten disulfide (IF-WS2) nanoparticles treated with diverse pressure loading methods. The approaches utilized to induce failure included: the use of an ultrasonic horn, the buildup of high pressures inside a shock tube which created a shock wave that propagated and impinged in the sample, and impact with military rounds. After treatment, samples were characterized using electron microscopy, powder X-ray diffraction, energy dispersive X-ray spectroscopy, and surface area analysis. The microstructural changes observed in the IF-WS2 particulates as a consequence of the treatments could be categorized in two distinct fracture modes. The most commonly observed was the formation of a crack at the particles surface followed by a phase transformation from the 3D cage-like structures into the 2D layered polymorphs, with subsequent agglomeration of the plate-like sheets to produce larger particle sizes. The secondary mechanism identified was the incipient delamination of IF-WS2. We encountered evidence that the IF-WS2 structure collapse initiated in all cases at the edges and vertices of the polyhedral particles, which acted as stress concentrators, independent of the load application mode or its duration.
      PubDate: 2014-07-04
      DOI: 10.3390/inorganics2030377
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 396-409: Nanostructured Boron Nitride: From
           Molecular Design to Hydrogen Storage Application

    • Authors: Georges Moussa, Chrystelle Salameh, Alina Bruma, Sylvie Malo, Umit Demirci, Samuel Bernard, Philippe Miele
      Pages: 396 - 409
      Abstract: The spray-pyrolysis of borazine at 1400 °C under nitrogen generates boron nitride (BN) nanoparticles (NPs). The as-prepared samples form elementary blocks containing slightly agglomerated NPs with sizes ranging from 55 to 120 nm, a Brunauer-Emmett-Teller (BET)-specific surface area of 34.6 m2 g−1 and a helium density of 1.95 g cm−3. They are relatively stable in air below 850 °C in which only oxidation of the NP surface proceeds, whereas under nitrogen, their lower size affects their high temperature thermal behavior in the temperature range of 1450–2000 °C. Nitrogen heat-treated nanostructures have been carefully analyzed using X-ray diffraction, electron microscopy and energy-dispersive X-ray spectroscopy. The high temperature treatment (2000 °C) gives hollow-cored BN-NPs that are strongly facetted, and after ball-milling, hollow core-mesoporous shell NPs displaying a BET-specific surface area of 200.5 m2·g−1 and a total pore volume of 0.287 cm3·g−1 were produced. They have been used as host material to confine, then destabilize ammonia borane (AB), thus improving its dehydrogenation properties. The as-formed AB@BN nanocomposites liberated H2 at 40 °C, and H2 is pure in the temperature range 40–80 °C, leading to a safe and practical hydrogen storage composite material.
      PubDate: 2014-07-31
      DOI: 10.3390/inorganics2030396
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 410-423: Long Alkyl Chain Organophosphorus
           

    • Authors: Annika Betke, Guido Kickelbick
      Pages: 410 - 423
      Abstract: Innovative synthetic approaches should be simple and environmentally friendly. Here, we present the surface modification of inorganic submicrometer particles with long alkyl chain organophosphorus coupling agents without the need of a solvent, which makes the technique environmentally friendly. In addition, it is of great benefit to realize two goals in one step: size reduction and, simultaneously, surface functionalization. A top-down approach for the synthesis of metal oxide particles with in situ surface functionalization is used to modify titania with long alkyl chain organophosphorus coupling agents. A high energy planetary ball mill was used to perform reactive milling using titania as inorganic pigment and long alkyl chain organophosphorus coupling agents like dodecyl and octadecyl phosphonic acid. The final products were characterized by IR, NMR and X-ray fluorescence spectroscopy, thermal and elemental analysis as well as by X-ray powder diffraction and scanning electron microscopy. The process entailed a tribochemical phase transformation from the starting material anatase to a high-pressure modification of titania and the thermodynamically more stable rutile depending on the process parameters. Furthermore, the particles show sizes between 100 nm and 300 nm and a degree of surface coverage up to 0.8 mmol phosphonate per gram.
      PubDate: 2014-08-04
      DOI: 10.3390/inorganics2030410
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 424-432: Gold Thione Complexes

    • Authors: Francesco Caddeo, Vanesa Fernández-Moreira, Massimiliano Arca, Antonio Laguna, Vito Lippolis, M. Gimeno
      Pages: 424 - 432
      Abstract: The reaction of the ligand Et4todit (4,5,6,7-Tetrathiocino-[1,2-b:3,4-b']-diimidazolyl-1,3,8,10-tetraethyl-2,9-dithione) with gold complexes leads to the dinuclear gold(I) complexes [{Au(C6F5)}2(Et4todit)] and [Au(Et4todit)]2(OTf)2, which do not contain any gold-gold interactions, or to the gold(III) derivative [{Au(C6F5)3}2(Et4todit)]. The crystal structures have been established by X-ray diffraction studies and show that the gold centers coordinate to the sulfur atoms of the imidazoline-2-thione groups.
      PubDate: 2014-08-04
      DOI: 10.3390/inorganics2030424
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 433-454: Gold Liquid Crystals in the XXI Century

    • Authors: Manuel Bardají
      Pages: 433 - 454
      Abstract: Since the first gold liquid crystal was described in 1986, much effort has been done to prepare new compounds bearing this property. The review deals with the last results obtained in this new century. Gold(I) has a strong affinity to give linear co-ordination and metal-metal interactions, which produce a rich supramolecular chemistry, and can promote the behavior as liquid crystal. Therefore, most liquid crystals are based on rod-like gold(I) compounds, while gold(III) liquid crystals are scarce. Calamitic and discotic mesogens have been reported, as well as chiral liquid crystals. Weak interactions such as H-bonds have also been used to obtain gold mesogens. Some of them exhibit additional properties, such as color, luminescence, and chirality. Luminescence has been reported, not only in the solid state or in solution, but also in the mesophase. This is relevant for applications in LEDs (Light Emitting Diodes), information storage, and sensors.
      PubDate: 2014-08-06
      DOI: 10.3390/inorganics2030433
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 455-467: Design of Experiments: Optimizing the
           Polycarboxylation/Functionalization of Tungsten Disulfide Nanotubes

    • Authors: Daniel Raichman, David Strawser, Jean-Paul Lellouche
      Pages: 455 - 467
      Abstract: Design of experiments (DOE) methodology was used to identify and optimize factors that influence the degree of functionalization (polycarboxylation) of WS2 INTs via a modified acidic Vilsmeier–Haack reagent. The six factors investigated were reaction time, temperature and the concentrations of 2-bromoacetic acid, WS2 INTs, silver acetate and DMF. The significance of each factor and the associated interactive effects were evaluated using a two-level factorial statistical design in conjunction with statistical software (MiniTab® 16) based on quadratic programming. Although statistical analysis indicated that no factors were statistically significant, time, temperature and concentration of silver acetate were found to be the most important contributors to obtaining maximum functionalization/carboxylation. By examining contour plots and interaction plots, it was determined that optimal functionalization is obtained in a temperature range of 115–120 °C with a reaction time of 54 h using a mixture of 6 mL DMF, 200 mg INTs, 800 mg 2-bromoacetic acid and 60 mg silver acetate.
      PubDate: 2014-08-11
      DOI: 10.3390/inorganics2030455
      Issue No: Vol. 2, No. 3 (2014)
       
  • Inorganics, Vol. 2, Pages 155-167: Electromechanical Properties of Small
           Transition-Metal Dichalcogenide Nanotubes

    • Authors: Nourdine Zibouche, Mahdi Ghorbani-Asl, Thomas Heine, Agnieszka Kuc
      Pages: 155 - 167
      Abstract: Transition-metal dichalcogenide nanotubes (TMC-NTs) are investigated for their electromechanical properties under applied tensile strain using density functional-based methods. For small elongations, linear strain-stress relations according to Hooke’s law have been obtained, while for larger strains, plastic behavior is observed. Similar to their 2D counterparts, TMC-NTs show nearly a linear change of band gaps with applied strain. This change is, however, nearly diameter-independent in case of armchair forms. The semiconductor-metal transition occurs for much larger deformations compared to the layered tube equivalents. This transition is faster for heavier chalcogen elements, due to their smaller intrinsic band gaps. Unlike in the 2D forms, the top of valence and the bottom of conduction bands stay unchanged with strain, and the zigzag NTs are direct band gap materials until the semiconductor-metal transition. Meanwhile, the applied strain causes modification in band curvature, affecting the effective masses of electrons and holes. The quantum conductance of TMC-NTs starts to occur close to the Fermi level when tensile strain is applied.
      PubDate: 2014-04-23
      DOI: 10.3390/inorganics2020155
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 168-176: Qualifying the Role of Indium in the
           Multiple-Filled Ce0.1InxYb0.2Co4Sb12 Skutterudite

    • Authors: Jennifer Graff, Jian He, Terry Tritt
      Pages: 168 - 176
      Abstract: Literature confirms an improvement in the overall TE properties due to the in situ InSb nano-dispersed phases located along the grain boundaries in several double-filled InxYzCo4Sb12 skutterudites. However, the single-filled InxCo4Sb12 reports contribute enhancement in TE properties solely on the nature of In as a void filler. To qualify the effect of In on the TE properties on multiple-filled skutterudites several multiple-filled Ce0.1InxYb0.2Co4Sb12 skutterudite samples, with nominal composition Ce0.1InyYb0.2Co4Sb12 (0 ≤ y ≤ 0.2), were synthesized. A double-filled base-line sample Ce0.1Yb0.2Co4Sb12 was also synthesized and characterized to create a much fuller depiction of the nature of In and its impact on the TE properties of the filled Co4Sb12-based skutterudite materials. Our results confirm that small amounts of In can be effective at increasing electrical conductivity in the multiple-filled Ce0.1InyYb0.2Co4Sb12 skutterudite. An increased mobility and thus electrical conductivity result in a 15% increase in the dimensionless Figure of Merit, ZT, in the nominal sample composition, Ce0.1In0.05Yb0.2Co4Sb12, which exhibits a state of the art ZT > 1.4 at T = 820 K.
      PubDate: 2014-04-29
      DOI: 10.3390/inorganics2020168
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 177-190: Single- to Triple-Wall WS2 Nanotubes
           Obtained by High-Power Plasma Ablation of WS2 Multiwall Nanotubes

    • Authors: Volker Brüser, Ronit Popovitz-Biro, Ana Albu-Yaron, Tommy Lorenz, Gotthard Seifert, Reshef Tenne, Alla Zak
      Pages: 177 - 190
      Abstract: The synthesis of inorganic nanotubes (INT) from layered compounds of a small size (<10 nm in diameter) and number of layers (<4) is not a trivial task. Calculations based on density functional tight-binding theory (DFTB) predict that under highly exergonic conditions, the reaction could be driven into a “window” of (meta-) stability, where 1–3-layer nanotubes will be formed. Indeed, in this study, single- to triple-wall WS2 nanotubes with a diameter of 3–7 nm and a length of 20–100 nm were produced by high-power plasma irradiation of multiwall WS2 nanotubes. As target materials, plane crystals (2H), quasi spherical nanoparticles (IF) and multiwall, 20–30 layers, WS2 nanotubes were assessed. Surprisingly, only INT-WS2 treated by plasma resulted in very small, and of a few layers, “daughter” nanotubules. The daughter nanotubes occur mostly attached to the outer surface of the predecessor, i.e., the multiwall “mother” nanotubes. They appear having either a common growth axis with the multiwall nanotube or tilted by approximately 30° or 60° with respect to its axis. This suggests that the daughter nanotubes are generated by exfoliation along specific crystallographic directions. A growth mechanism for the daughter nanotubes is proposed. High resolution transmission and scanning electron microscopy (HRTEM/HRSEM) analyses revealed the distinctive nanoscale structures and helped elucidating their growth mechanism.
      PubDate: 2014-04-29
      DOI: 10.3390/inorganics2020177
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 191-210: Direct Energy Supply to the Reaction
           Mixture during Microwave-Assisted Hydrothermal and Combustion Synthesis of
           Inorganic Materials

    • Authors: Roberto Rosa, Chiara Ponzoni, Cristina Leonelli
      Pages: 191 - 210
      Abstract: The use of microwaves to perform inorganic synthesis allows the direct transfer of electromagnetic energy inside the reaction mixture, independently of the temperature manifested therein. The conversion of microwave (MW) radiation into heat is useful in overcoming the activation energy barriers associated with chemical transformations, but the use of microwaves can be further extended to higher temperatures, thus creating unusual high-energy environments. In devising synthetic methodologies to engineered nanomaterials, hydrothermal synthesis and solution combustion synthesis can be used as reference systems to illustrate effects related to microwave irradiation. In the first case, energy is transferred to the entire reaction volume, causing a homogeneous temperature rise within a closed vessel in a few minutes, hence assuring uniform crystal growth at the nanometer scale. In the second case, strong exothermic combustion syntheses can benefit from the application of microwaves to convey energy to the reaction not only during the ignition step, but also while it is occurring and even after its completion. In both approaches, however, the direct interaction of microwaves with the reaction mixture can lead to practically gradient-less heating profiles, on the basis of which the main observed characteristics and properties of the aforementioned reactions and products can be explained.
      PubDate: 2014-05-05
      DOI: 10.3390/inorganics2020191
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 211-232: IF-WS2/Nanostructured Carbon Hybrids
           Generation and Their Characterization

    • Authors: Claudia Luhrs, Michael Moberg, Ashley Maxson, Luke Brewer, Sarath Menon
      Pages: 211 - 232
      Abstract: With the aim to develop a new generation of materials that combine either the known energy absorbing properties of carbon nanofibers (CNF), or the carbon-carbon bond strength of graphene sheets (G), with the shock resistance properties reported for Inorganic Fullerene type WS2 structures (IF-WS2), hybrid CNF/IF-WS2 and G/IF-WS2 were generated, characterized and tested. Experimentation revealed that in situ growth of carbon nanostructures with inorganic fullerene tungsten disulfide particulates had to be performed from particular precursors and fabrication conditions to avoid undesirable byproducts that hinder fiber growth or deter graphene generation. The novel protocols that allowed us to integrate the IF-WS2 with the carbon nanostructures, producing dispersions at the nanoscale, are reported. Resulting hybrid CNF/IF-WS2 and G/IF-WS2 products were analyzed by X-ray Diffraction (XRD), Scanning Electron Microscope (SEM) and TEM (Transmission Electron Microscopy). The thermal stability of samples in air was evaluated by Thermogravimetric Analysis (TGA). CNF/IF-WS2 and G/IF-WS2 hybrids were introduced into epoxy matrices, and the mechanical properties of the resulting composites were analyzed using nanoindentation. Epoxy composite samples showed drastic improvements in the Young’s modulus and hardness values by the use of only 1% hybrid weight loadings. The carbon nanofiber inclusions seem to have a much greater impact on the mechanical properties of the composite than the graphene based counterparts.
      PubDate: 2014-05-09
      DOI: 10.3390/inorganics2020211
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 233-247: Supercritical Fluid Synthesis of
           LiCoPO4 Nanoparticles and Their Application to Lithium Ion Battery

    • Authors: Murukanahally Devaraju, Quang Truong, Hiroshi Hyodo, Takaaki Tomai, Itaru Honma
      Pages: 233 - 247
      Abstract: In this work, LiCoPO4 nanoparticles were synthesized by supercritical fluid method using cobalt nitrate hexahydrate (Co(NO3)2 6H2O) and cobalt acetate tetrahydrate (C4H6CoO4 4H2O) as starting materials. The effect of starting materials on particle morphology, size, and the crystalline phase were investigated. The as-synthesized samples were systematically characterized by XRD, TEM, STEM, EDS, BET, and TG and charge-discharge measurements. In addition, Rietveld refinement analysis was performed. The electrochemical measurements of LiCoPO4 nanoparticles have shown differences in capacities depending on the starting materials used in the synthesis and the results have been discussed in this paper.
      PubDate: 2014-05-28
      DOI: 10.3390/inorganics2020233
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 248-263: From Stable ZnO and GaN Clusters to
           Novel Double Bubbles and Frameworks

    • Authors: Matthew Farrow, John Buckeridge, C. Catlow, Andrew Logsdail, David Scanlon, Alexey Sokol, Scott Woodley
      Pages: 248 - 263
      Abstract: A bottom up approach is employed in the design of novel materials: first, gas-phase “double bubble” clusters are constructed from high symmetry, Th, 24 and 96 atom, single bubbles of ZnO and GaN. These are used to construct bulk frameworks. Upon geometry optimization—minimisation of energies and forces computed using density functional theory—the symmetry of the double bubble clusters is reduced to either C1 or C2, and the average bond lengths for the outer bubbles are 1.9 Å, whereas the average bonds for the inner bubble are larger for ZnO than for GaN; 2.0 Å and 1.9 Å, respectively. A careful analysis of the bond distributions reveals that the inter-bubble bonds are bi-modal, and that there is a greater distortion for ZnO. Similar bond distributions are found for the corresponding frameworks. The distortion of the ZnO double bubble is found to be related to the increased flexibility of the outer bubble when composed of ZnO rather than GaN, which is reflected in their bulk moduli. The energetics suggest that (ZnO)12@(GaN)48 is more stable both in gas phase and bulk frameworks than (ZnO)12@(ZnO)48 and (GaN)12@(GaN)48. Formation enthalpies are similar to those found for carbon fullerenes.
      PubDate: 2014-05-28
      DOI: 10.3390/inorganics2020248
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 264-277: Microwave-Assisted Synthesis of
           Boron-Modified TiO2 Nanocrystals

    • Authors: Claudia Carlucci, Barbara Scremin, Teresa Sibillano, Cinzia Giannini, Emanuela Filippo, Patrizia Perulli, Agostina Capodilupo, Giuseppina Corrente, Giuseppe Ciccarella
      Pages: 264 - 277
      Abstract: An efficient microwave-assisted synthesis of TiO2:(B) nanorods, using titanium tetraisopropoxide (TTIP), benzyl alcohol as the solvent, together with boric acid and oleic acid as the additive reagents, has been developed. Chemical modification of TTIP by oleic acid was demonstrated as a rational strategy to tune the shape of TiO2 nanocrystals toward nanorod formation. The differently-shaped TiO2:(B) nanocrystals were characterized in detail by transmission electron microscopy (TEM), inductively coupled plasma-atomic emission spectroscopy (ICP-AES), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy and nitrogen absorption-desorption. Oleic acid coordinated on the nanocrystal surface was removed by the reduction of its carboxyl group, and the photocatalytic activity of bare TiO2 nanocrystals, under visible light irradiation, was also evaluated. The synthesized TiO2 anatase nanorods exhibited a good photoactivity and completely degraded Rhodamine B solution within three hours.
      PubDate: 2014-06-06
      DOI: 10.3390/inorganics2020264
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 278-290: Microwave Plasma Production of Metal
           Nanopowders

    • Authors: Joseph Chau, Chih-Chao Yang, Hsi-Hsin Shih
      Pages: 278 - 290
      Abstract: Metal and metal alloy nanopowders were prepared by using the microwave plasma synthesis method. The microwave plasma was operated in atmospheric pressure at a frequency of 2.45 GHz. The precursor decomposed thermally in the plasma reaction region and the products were then condensed in the heat exchanger, were separated from the gas by the powder filter, and then finally collected in the powder collector. The effect of various processing parameters such as plasma gas, carrier gas, cooling gas, precursor raw materials and feeding rate were studied in this work. Cu, Mo, W, Mo-Ni and Fe-Co nanopowders were successfully prepared by using the microwave plasma synthesis method. The processing conditions can be tuned to manipulate the particle size of the nanopowders.
      PubDate: 2014-06-12
      DOI: 10.3390/inorganics2020278
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 291-312: Thermoplastic Polymer Nanocomposites
           Based on Inorganic Fullerene-like Nanoparticles and Inorganic Nanotubes

    • Authors: Mohammed Naffakh, Ana Díez-Pascual
      Pages: 291 - 312
      Abstract: Using inorganic fullerene-like (IF) nanoparticles and inorganic nanotubes (INT) in organic-inorganic hybrid composite, materials provide the potential for improving thermal, mechanical, and tribological properties of conventional composites. The processing of such high-performance hybrid thermoplastic polymer nanocomposites is achieved via melt-blending without the aid of any modifier or compatibilizing agent. The incorporation of small quantities (0.1–4 wt.%) of IF/INTs (tungsten disulfide, IF-WS2 or molybdenum disulfide, MoS2) generates notable performance enhancements through reinforcement effects and excellent lubricating ability in comparison with promising carbon nanotubes or other inorganic nanoscale fillers. It was shown that these IF/INT nanocomposites can provide an effective balance between performance, cost effectiveness, and processability, which is of significant importance for extending the practical applications of diverse hierarchical thermoplastic-based composites.
      PubDate: 2014-06-12
      DOI: 10.3390/inorganics2020291
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 313-333: Continuous Production of IF-WS2
           Nanoparticles by a Rotary Process

    • Authors: Fang Xu, Nannan Wang, Hong Chang, Yongde Xia, Yanqiu Zhu
      Pages: 313 - 333
      Abstract: This manuscript demonstrates the design, modification and initial investigation of a rotary furnace for the manufacturing of inorganic fullerene WS2 nanoparticles. Different preparation methods starting with various precursors have been investigated, of which the gas-solid reaction starting with WO3 nanoparticles was the most efficient technique. Furthermore, the influence of temperature, reaction time, and reaction gases etc. on the synthesis of inorganic fullerene WS2 nanomaterials was investigated, and these parameters were optimised based on combined characterisations using XRD, SEM and TEM. In addition, the furnace was further modified to include a baffled tube, a continuous gas-blow feeding system, and a collection system, in order to improve the batch yield and realise continuous production. This technique has improved the production from less than 1 g/batch in a traditional tube furnace to a few tens of g/batch, and could be easily scaled up to industry level production.
      PubDate: 2014-06-13
      DOI: 10.3390/inorganics2020313
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 334-350: Gas-Phase and Microsolvated Glycine
           Interacting with Boron Nitride Nanotubes. A B3LYP-D2* Periodic Study

    • Authors: Albert Rimola, Mariona Sodupe
      Pages: 334 - 350
      Abstract: The adsorption of glycine (Gly) both in gas-phase conditions and in a microsolvated state on a series of zig-zag (n,0) single-walled boron nitride nanotubes (BNNTs, n = 4, 6, 9 and 15) has been studied by means of B3LYP-D2* periodic calculations. Gas-phase Gly is found to be chemisorbed on the (4,0), (6,0) and (9,0) BNNTs by means of a dative interaction between the NH2 group of Gly and a B atom of the BNNTs, whose computed adsorption energies are gradually decreased by increasing the tube radius. On the (15,0) BNNT, Gly is found to be physisorbed with an adsorption driving force mainly dictated by p-stacking dispersion interactions. Gly adsorption in a microsolvated environment has been studied in the presence of seven water molecules by progressively microsolvating the dry Gly/BNNT interface. The most stable structures on the (6,0), (9,0) and (15,0) BNNTs present the Gly/BNNT interface fully bridged by the water solvent molecules; i.e., no direct contact between Gly and the BNNTs takes place, whereas on the (4,0) BNNT the most stable structure presents a unique direct interaction between the COO− Gly group and a B atom of the nanotube. Further energetic analyses indicate that the (6,0), (9,0) and (15,0) BNNTs exhibit a low water affinity, which favors the Gly/water interactions upon BNNT coadsorption. In contrast, the (4,0) BNNT has been found to show a large water affinity, bringing the replacement of adsorbed water by a microsolvated glycine molecule as an unfavorable process.
      PubDate: 2014-06-18
      DOI: 10.3390/inorganics2020334
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 351-362: Thermoelectric Properties of Mg2Si
           Produced by New Chemical Route and SPS

    • Authors: Wilfried Wunderlich, Yoshihito Suzuki, Naoto Gibo, Takahiro Ohkuma, Muayyad Al-Abandi, Masashi Sato, Atta Khan, Takao Mori
      Pages: 351 - 362
      Abstract: This paper reports about a new synthesis method for preparing Mg2Si in an efficient way. The intermetallic Mg2Si-phase forms gradually from a mixture of Mg and Si fine powder during exposure to hydrogen atmosphere, which reacts in a vacuum vessel at 350 °C. The resulting powder has the same particle size (100 µm) compared with commercial Mg2Si powder, but higher reactivity due to large surface area from particulate morphology. Both types of powders were compacted by spark plasma sintering (SPS) experiments at 627, 602, 597, and 400 °C for 600 s with a compaction pressure of 80 MPa. The thermoelectric characterization was performed with low and high temperature gradients of ΔT = 10 K up to 600 K. The results confirmed a Seebeck coefficient of −0.14 mV/K for specimens sintered from both powders. The small difference in total performance between purchased and produced power is considered to be due to the effect of impurities. The best values were obtained for n-type Mg2Si doped with 3% Bi yielding a Seebeck coefficient of −0.2 mV/K, ZT = 0.45) and electric output power of more than 6 µW.
      PubDate: 2014-06-20
      DOI: 10.3390/inorganics2020351
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 363-376: The Role of Lead (Pb) in the High
           Temperature Formation of MoS2 Nanotubes

    • Authors: Olga Brontvein, Reshef Tenne, Andrey Enyashin
      Pages: 363 - 376
      Abstract: Recent studies have clearly indicated the favorable effect of lead as a growth promoter for MX2 (M = Mo, W; X = S, Se) nanotubes using MX2 powder as a precursor material. The experimental work indicated that the lead atoms are not stable in the molybdenum oxide lattice ion high concentration. The initial lead concentration in the oxide nanowhiskers (Pb:Mo ratio = 0.28) is reduced by one order of magnitude after one year in the drawer. The initial Pb concentration in the MoS2 nanotubes lattice (produced by solar ablation) is appreciably smaller (Pb:Mo ratio for the primary samples is 0.12) and is further reduced with time and annealing at 810 °C, without consuming the nanotubes. In order to elucidate the composition of these nanotubes in greater detail; the Pb-“modified” MX2 compounds were studied by means of DFT calculations and additional experimental work. The calculations indicate that Pb doping as well as Pb intercalation of MoS2 lead to the destabilization of the system; and therefore a high Pb content within the MoS2 lattice cannot be expected in the final products. Furthermore; substitutional doping (PbMo) leads to p-type semiconducting character; while intercalation of MoS2 by Pb atoms (Pby/MoS2) should cause n-type semiconducting behavior. This study not only sheds light on the role of added lead to the growth of the nanotubes and their role as electron donors; but furthermore could pave the way to a large scale synthesis of the MoS2 nanotubes.
      PubDate: 2014-06-23
      DOI: 10.3390/inorganics2020363
      Issue No: Vol. 2, No. 2 (2014)
       
  • Inorganics, Vol. 2, Pages 1-15: Bottom-Up, Wet Chemical Technique for the
           Continuous Synthesis of Inorganic Nanoparticles

    • Authors: Annika Betke, Guido Kickelbick
      Pages: 1 - 15
      Abstract: Continuous wet chemical approaches for the production of inorganic nanoparticles are important for large scale production of nanoparticles. Here we describe a bottom-up, wet chemical method applying a microjet reactor. This technique allows the separation between nucleation and growth in a continuous reactor environment. Zinc oxide (ZnO), magnetite (Fe3O4), as well as brushite (CaHPO4·2H2O), particles with a small particle size distribution can be obtained continuously by using the rapid mixing of two precursor solutions and the fast removal of the nuclei from the reaction environment. The final particles were characterized by FT-IR, TGA, DLS, XRD and SEM techniques. Systematic studies on the influence of the different process parameters, such as flow rate and process temperature, show that the particle size can be influenced. Zinc oxide was obtained with particle sizes between 44 nm and 102 nm. The obtained magnetite particles have particle sizes in the range of 46 nm to 132 nm. Brushite behaves differently; the obtained particles were shaped like small plates with edge lengths between 100 nm and 500 nm.
      PubDate: 2014-01-27
      DOI: 10.3390/inorganics2010001
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 16-28: Investigation into the Incorporation of
           Phosphate into BaCe1−yAyO3−y/2 (A = Y, Yb, In)

    • Authors: Alaric Smith, Peter Slater
      Pages: 16 - 28
      Abstract: In this paper we examine the effect of doping phosphate into BaCe1−yAyO3−y/2 (A = Y, Yb, In). The samples were analysed through a combination of X-ray diffraction, TGA, Raman spectroscopy and conductivity measurements. The results showed that phosphate could be incorporated into this system up to the 10% doping level, although this required an increased Y/Yb/In content, e.g., BaCe0.6(Y/In/Yb)0.3P0.1O2.9. The phosphate doping was, however, shown to lead to a decrease in conductivity; although at low phosphate levels high conductivities were still observed, e.g., for BaCe0.65Y0.3P0.05O2.875, σ = 4.3 × 10−3 S cm−1 at 600 °C in wet N2. In terms of the effect of phosphate incorporation on the CO2 stability, it was shown to lead to a small improvement for the In containing samples, whereas the yttrium doped compositions showed no change in CO2 stability.
      PubDate: 2014-01-29
      DOI: 10.3390/inorganics2010016
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 29-78: Chemistry of Ammonothermal Synthesis

    • Authors: Theresia Richter, Rainer Niewa
      Pages: 29 - 78
      Abstract: Ammonothermal synthesis is a method for synthesis and crystal growth suitable for a large range of chemically different materials, such as nitrides (e.g., GaN, AlN), amides (e.g., LiNH2, Zn(NH2)2), imides (e.g., Th(NH)2), ammoniates (e.g., Ga(NH3)3F3, [Al(NH3)6]I3 · NH3) and non-nitrogen compounds like hydroxides, hydrogen sulfides and polychalcogenides (e.g., NaOH, LiHS, CaS, Cs2Te5). In particular, large scale production of high quality crystals is possible, due to comparatively simple scalability of the experimental set-up. The ammonothermal method is defined as employing a heterogeneous reaction in ammonia as one homogenous fluid close to or in supercritical state. Three types of milieus may be applied during ammonothermal synthesis: ammonobasic, ammononeutral or ammonoacidic, evoked by the used starting materials and mineralizers, strongly influencing the obtained products. There is little known about the dissolution and materials transport processes or the deposition mechanisms during ammonothermal crystal growth. However, the initial results indicate the possible nature of different intermediate species present in the respective milieus.
      PubDate: 2014-02-28
      DOI: 10.3390/inorganics2010029
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 79-95: New Type-I and Type-II Clathrates in the
           Systems Cs–Na–Ga–Si, Rb–Na–Ga–Si, and
           Rb–Na–Zn–Si

    • Authors: Marion Schäfer, Svilen Bobev
      Pages: 79 - 95
      Abstract: Systematic studies in the systems Cs–Na–Ga–Si, Rb–Na–Ga–Si, and Rb–Na–Zn–Si yielded the novel type-I clathrates with refined compositions Cs6Na2Ga8.25Si37.75(3), Rb6.34Na1.66(2)Ga8.02Si37.98(3), and Rb5.20Na2.80(4)Zn3.85Si42.15(2) (cubic, ), as well as the type-II clathrates with formulae Cs8Na16Ga22.7Si113.3(1), Rb8.4Na15.6(1)Ga19.6Si116.4(1), and Rb8Na16Zn8.4Si127.6(1) (cubic, ). In each system, the type-I and -II compounds are always co-crystallizing, irrespective of the reaction conditions. The structures derived from single-crystal X-ray diffraction confirm complete ordering of Cs and Na atoms, and nearly complete ordering of the Rb and Na guest atoms. The framework-building Si atoms are randomly substituted by Ga or Zn atoms on all framework sites with notable difference in the substitution patterns between the type-I and type-II structure. This, and other details of the crystal chemistry are discussed in this paper.
      PubDate: 2014-03-18
      DOI: 10.3390/inorganics2010079
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 96-114: Syntheses of Macromolecular Ruthenium
           Compounds: A New Approach for the Search of Anticancer Drugs

    • Authors: Andreia Valente, M. Garcia
      Pages: 96 - 114
      Abstract: The continuous rising of the cancer patient death rate undoubtedly shows the pressure to find more potent and efficient drugs than those in clinical use. These agents only treat a narrow range of cancer conditions with limited success and are associated with serious side effects caused by the lack of selectivity. In this frame, innovative syntheses approaches can decisively contribute to the success of “smart compounds” that might be only selective and/or active towards the cancer cells, sparing the healthy ones. In this scope, ruthenium chemistry is a rising field for the search of proficient metallodrugs by the use of macromolecular ruthenium complexes (dendrimers and dendronized polymers, coordination-cage and protein conjugates, nanoparticles and polymer-“ruthenium-cyclopentadienyl” conjugates) that can take advantage of the singularities of tumor cells (vs. healthy cells).
      PubDate: 2014-03-21
      DOI: 10.3390/inorganics2010096
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 115-131: Diarylplatinum(II) Compounds as
           Versatile Metallating Agents in the Synthesis of Cyclometallated Platinum
           Compounds with N-Donor Ligands

    • Authors: Margarita Crespo
      Pages: 115 - 131
      Abstract: This review deals with the reactions of diarylplatinum(II) complexes with N-donor ligands to produce a variety of cycloplatinated compounds including endo-five-, endo-seven-, endo-six- or exo-five-membered platinacycles. The observed reactions result from a series of oxidative addition/reductive elimination processes taking place at platinum(II)/platinum(IV) species and involving C–X (X = H, Cl, Br) bond activation, arene elimination, and, in some cases, Caryl–Caryl bond formation.
      PubDate: 2014-03-21
      DOI: 10.3390/inorganics2010115
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 2, Pages 132-154: Comparative Issues of Cathode Materials
           for Li-Ion Batteries

    • Authors: Christian Julien, Alain Mauger, Karim Zaghib, Henri Groult
      Pages: 132 - 154
      Abstract: After an introduction to lithium insertion compounds and the principles of Li-ion cells, we present a comparative study of the physical and electrochemical properties of positive electrodes used in lithium-ion batteries (LIBs). Electrode materials include three different classes of lattices according to the dimensionality of the Li+ ion motion in them: olivine, layered transition-metal oxides and spinel frameworks. Their advantages and disadvantages are compared with emphasis on synthesis difficulties, electrochemical stability, faradaic performance and security issues.
      PubDate: 2014-03-25
      DOI: 10.3390/inorganics2010132
      Issue No: Vol. 2, No. 1 (2014)
       
  • Inorganics, Vol. 1, Pages 1-2: Welcome to Inorganics: A New Open Access,
           Inclusive Forum for Inorganic Chemistry

    • Authors: Duncan Gregory
      Pages: 1 - 2
      Abstract: One of the beauties of inorganic chemistry is its sheer diversity. Just as chemistry sits at the centre of the sciences, inorganic chemistry sits at the centre of chemistry itself. Inorganic chemists are fortunate in having the entire periodic table at their disposal, providing a palette for the creation of a multitude of rich and diverse compounds and materials from the simplest salts to the most complex of molecular species. It follows that the language of inorganic chemistry can thus be a demanding one, accommodating sub-disciplines with very different perspectives and frames of reference. One could argue that it is the unequivocal breadth of inorganic chemistry that empowers inorganic chemists to work at the interfaces, not just between the traditional Inorganic-Organic-Physical boundaries of the discipline, but in the regions where chemistry borders the other physical and life sciences, engineering and socio-economics.
      PubDate: 2013-06-17
      DOI: 10.3390/inorganics1010001
      Issue No: Vol. 1, No. 1 (2013)
       
  • Inorganics, Vol. 1, Pages 3-13: I62− Anion Composed of Two
           Asymmetric Triiodide Moieties: A Competition between Halogen and Hydrogen
           Bond

    • Authors: Martin van Megen, Guido Reiss
      Pages: 3 - 13
      Abstract: The reaction of 1,8-diaminooctane with hydroiodic acid in the presence of iodine gave a new polyiodide-containing salt: 1,8-diaminiumoctane bis(triiodide), (H3N-(CH2)8-NH3)[I3]2. The title compound has been characterized by crystallographic and spectroscopic methods. The polyiodide ion is the first example of a hydrogen bonded I62− dianion consisting of two very asymmetric triiodide components with I−I distances of 2.7739(4) and 3.1778(4) Å interacting by a weak halogen bond (I···I: 3.5017(2) Å). The structural parameters of the triiodide anions, derived from X-ray crystallographic data, are in good agreement with the Raman and Far-IR spectroscopic results.
      PubDate: 2013-10-31
      DOI: 10.3390/inorganics1010003
      Issue No: Vol. 1, No. 1 (2013)
       
  • Inorganics, Vol. 1, Pages 14-31: Amorphous Li-Al-Based Compounds: A Novel
           Approach for Designing High Performance Electrode Materials for Li-Ion
           Batteries

    • Authors: Franziska Thoss, Lars Giebeler, Jürgen Thomas, Steffen Oswald, Kay Potzger, Helfried Reuther, Helmut Ehrenberg, Jürgen Eckert
      Pages: 14 - 31
      Abstract: A new amorphous compound with the initial atomic composition Al43Li43Y6Ni8 applied as electrode material for Li-ion batteries is investigated. Unlike other amorphous compounds so-far investigated as anode materials, it already contains Li as a base element in the uncycled state. The amorphous compound powder is prepared by high energy ball milling of a master alloy. It shows a strongly enhanced specific capacity in contrast to amorphous alloys without Li in the initial state. Therewith, by enabling a reversible (de)lithiation of metallic electrodes without the phase transition caused volume changes it offers the possibility of much increased specific capacities than conventional graphite anodes. According to the charge rate (C-rate), the specific capacity is reversible over 20 cycles at minimum in contrast to conventional crystalline intermetallic phases failing by volume changes. The delithiation process occurs quasi-continuously over a voltage range of nearly 4 V, while the lithiation is mainly observed between 0.1 V and 1.5 V. That way, the electrode is applicable for different potential needs. The electrode stays amorphous during cycling, thus avoiding volume changes. The cycling performance is further enhanced by a significant amount of Fe introduced as wear debris from the milling tools, which acts as a promoting element.
      PubDate: 2013-11-18
      DOI: 10.3390/inorganics1010014
      Issue No: Vol. 1, No. 1 (2013)
       
  • Inorganics, Vol. 1, Pages 32-45: Facile and Selective Synthetic Approach
           for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the
           Supporting Ligand

    • Authors: Dai Oyama, Ayumi Fukuda, Takashi Yamanaka, Tsugiko Takase
      Pages: 32 - 45
      Abstract: It is extremely important for synthetic chemists to control the structure of new compounds. We have constructed ruthenium-based mononuclear complexes with the tridentate 2,6-di(1,8-naphthyridin-2-yl)pyridine (dnp) ligand to investigate a new synthetic approach using a specific coordination space. The synthesis of a family of new ruthenium complexes containing both the dnp and triphenylphosphine (PPh3) ligands, [Ru(dnp)(PPh3)(X)(L)]n+ (X = PPh3, NO2−, Cl−, Br−; L = OH2, CH3CN, C6H5CN, SCN−), has been described. All complexes have been spectroscopically characterized in solution, and the nitrile complexes have also been characterized in the solid state through single-crystal X-ray diffraction analysis. Dnp in the present complex system behaves like a “molecular sieve” in ligand replacement reactions. Both experimental data and density functional theory (DFT) calculations suggest that dnp plays a crucial role in the selectivity observed in this study. The results provide useful information toward elucidating this facile and selective synthetic approach to new transition metal complexes.
      PubDate: 2013-12-09
      DOI: 10.3390/inorganics1010032
      Issue No: Vol. 1, No. 1 (2013)
       
  • Inorganics, Vol. 1, Pages 46-69: Synthesis and Characterisation of
           Lanthanide N-Trimethylsilyl and -Mesityl Functionalised
           Bis(iminophosphorano)methanides and -Methanediides

    • Authors: George Marshall, Ashley Wooles, David Mills, William Lewis, Alexander Blake, Stephen Liddle
      Pages: 46 - 69
      Abstract: We report the extension of the series of {BIPMTMSH}− (BIPMR = C{PPh2NR}2, TMS = trimethylsilyl) derived rare earth methanides by the preparation of [Ln(BIPMTMSH)(I)2(THF)] (Ln = Nd, Gd, Tb), 1a–c, in 34–50% crystalline yields via the reaction of [Ln(I)3(THF)3.5] with [Cs(BIPMTMSH)]. Similarly, we have extended the range of {BIPMMesH}− (Mes = 2,4,6-trimethylphenyl) derived rare earth methanides with the preparation of [Gd(BIPMMesH)(I)2(THF)2], 3, (49%) and [Yb(BIPMMesH)(I)2(THF)], 4, (26%), via the reaction of [Ln(I)3(THF)3.5] with [{K(BIPMMesH)}2]. Attempts to prepare dysprosium and erbium analogues of 3 or 4 were not successful, with the ion pair species [Ln(BIPMMesH)2][BIPMMesH] (Ln  = Dy, Er), 5a–b, isolated in 31–39% yield. The TMEDA (N',N',N",N"-tetramethylethylenediamine) adducts [Ln(BIPMMesH)(I)2(TMEDA)] (Ln = La, Gd), 6a–b, were prepared in quantitative yield via the dissolution of [La(BIPMMesH)(I)2(THF)] or 3 in a TMEDA/THF solution. The reactions of [Ln(BIPMMesH)(I)2(THF)] [Ln  = La, Ce, Pr, and Gd (3)] or 6a–b with a selection of bases did not afford [La(BIPMMes)(I)(S)n] (S = solvent) as predicted, but instead led to the isolation of the heteroleptic complexes [Ln(BIPMMes)(BIPMMesH)] (Ln = La, Ce, Pr and Gd), 7a–d, in low yields due to ligand scrambling.
      PubDate: 2013-12-12
      DOI: 10.3390/inorganics1010046
      Issue No: Vol. 1, No. 1 (2013)
       
  • Inorganics, Vol. 1, Pages 70-84: Synthesis of Diazonium
           Tetrachloroaurate(III) Precursors for Surface Grafting

    • Authors: Sabine Neal, Samuel Orefuwa, Atiya Overton, Richard Staples, Ahmed Mohamed
      Pages: 70 - 84
      Abstract: The synthesis of diazonium tetrachloroaurate(III) complexes [R-4-C6H4N≡N]AuCl4 involves protonation of anilines CN-4-C6H4NH2, C8F17-4-C6H4NH2, and C6H13-4-C6H4NH2 with tetrachloroauric acid H[AuCl4] 3H2O in acetonitrile followed by one-electron oxidation using [NO]PF6. FT-IR shows the diazonium stretching frequency at 2277 cm−1 (CN), 2305 cm−1 (C8F17), and 2253 cm−1 (C6H13). Thermogravimetric Analysis (TGA) shows the high stabilities of the electron-withdrawing substituents C8F17 and CN compared with the electron-donating substituent C6H13. Residual Gas Analysis (RGA) shows the release of molecular nitrogen as the main gas residue among other small molecular weight chlorinated hydrocarbons and chlorobenzene. Temperature-Dependent X-Ray Powder Diffraction (TD-XRD) shows the thermal decomposition in C6H13 diffraction patterns at low temperature of 80 °C which supports the TGA and RGA (TGA-MS) conclusions. X-ray structure shows N≡N bond distance of approximately 1.10 Å and N≡N-C bond angle of 178°.
      PubDate: 2013-12-17
      DOI: 10.3390/inorganics1010070
      Issue No: Vol. 1, No. 1 (2013)
       
 
 
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