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At least 127 records · Page 7

High-Pressure Synthesis: A New Frontier in the Search for Next-Generation Intermetallic Compounds

The application of high pressure adds an additional dimension to chemical phase space, opening up an unexplored expanse bearing tremendous potential for discovery. Our continuing mission is to explore this new frontier, to seek out new intermetallic compounds and new solid-state bonding. Simple binary elemental systems, specifically those composed of pairs of elements that do not form compounds under ambient pressures, can yield novel crystalline phases under compression. Thus, high-pressure synthesis can provide access to solid-state compounds that cannot be formed with traditional thermodynamic methods. An emerging approach for the rapid exploration of composition–pressure–temperature phase space is the use of hand-held high-pressure devices known as diamond anvil cells (DACs). These devices were originally developed by geologists as a way to study minerals under conditions relevant to the earth’s interior, but they possess a host of capabilities that make them ideal for high-pressure solid-state synthesis. Of particular importance, they offer the capability for in situ spectroscopic and diffraction measurements, thereby enabling continuous reaction monitoring—a powerful capability for solid-state synthesis. Here, we offer an overview of this approach in the context of research we have performed in the pursuit of new intermetallic compounds. We start with a discussion of pressure as a fundamental experimental variable that enables the formation of intermetallic compounds that cannot be isolated under ambient conditions. We then introduce the DAC apparatus and explain how it can be repurposed for use as a synthetic vessel with which to explore this phase space, going to extremes of pressure where no chemist has gone before. The remainder of the Account is devoted to discussions of recent experiments we have performed with this approach that have led to the discovery of novel intermetallic compounds in the Fe–Bi, Cu–Bi, and Ni–Bi systems, with a focus on the cutting-edge methods that made these experiments possible. We review the use of in situ laser heating at high pressure, which led to the discovery of FeBi2, the first binary intermetallic compound in the Fe–Bi system. Our work in the Cu–Bi system is described in the context of in situ experiments carried out in the DAC to map its high-pressure phase space, which revealed two intermetallic phases (Cu11Bi7 and CuBi). Finally, we review the discovery of β-NiBi, a novel high-pressure phase in the Ni–Bi system. We hope that this Account will inspire the next generation of solid-state chemists to boldly explore high-pressure phase space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis of Large Mesoporous–Macroporous and High Pore Volume, Mixed Crystallographic Phase Manganese Oxide, Mn 2 O 3 /Mn 3 O 4 Sponge

The controlled synthesis of mixed crystallographic phase Mn 2 O 3 /Mn 3 O 4 sponge material by varying heating rates and isothermal segments provides valuable information about the morphological and physical properties of the obtained sample. The well-characterized Mn 2 O 3 /Mn 3 O 4 sponge and applicability of difference in reactivity of H 2 and CO 2 desorbed during the synthesis provide new developments in the synthesis of metal oxide materials with unique morphological and surface properties. Here, we report the preparation of a Mn 2 O 3 /Mn 3 O 4 sponge using a metal nitrate salt, water, and Dextran, a biopolymer consisting of glucose monomers. The Mn 2 O 3 /Mn 3 O 4 sponge prepared at 1 °C·min –1 heating rate to 500 °C and held isothermally for 1 h consisted of large mesopores–macropores (25.5 nm, pore diameter) and a pore volume of 0.413 mL/g. Furthermore, the prepared Mn 2 O 3 /Mn 3 O 4 and 5 mol %–Fe-Mn 2 O 3 /Mn 3 O 4 sponges provide potential avenues in the development of solid-state catalyst materials for alcohol and amine oxidation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Distinguishing Plasma Contributions to Catalyst Performance in Plasma-Assisted Ammonia Synthesis

Plasma-assisted catalysis is the process of electrically activating gases in the plasma-phase at low temperatures and ambient pressure to drive reactions on catalyst surfaces. Plasma-assisted catalytic processes combine conventional heterogeneous surface reactions, homogeneous plasma phase reactions, and coupling between plasma-generated species and the catalyst surface. Herein, we perform kinetically controlled ammonia synthesis measurements in a dielectric barrier discharge (DBD) plasma-assisted catalytic reactor. We decouple contributions due to plasma phase reactions from the overall plasma-assisted catalytic kinetics by performing plasma-only experiments. By varying the gas composition, temperature, and discharge power, we probe how macroscopic reaction conditions affect plasma-assisted ammonia synthesis on three different γ-alumina-supported transition metal catalysts (Ru, Co, and Ni). Our experiments indicate that the overall reaction and plasma-phase reaction are first-order in both N 2 and H 2 . In contrast, the rate contributions due to plasma-catalyst interactions are first-order in N 2 but zeroth order in H 2 . Furthermore, we find that the tuning of the plasma discharge power is more effective in controlling catalytic performance than the increasing of bulk gas temperature in plasma-assisted ammonia synthesis. Lastly, we show that adding a catalyst to the DBD reaction alters the way that productivity scales with the specific energy input (SEI).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laser-heated diamond anvil cell synthesis and recovery of metastable MnSb 2 and YbZn 2 for post-synthesis transport studies

The creation and exploration of new materials under extreme pressure–temperature conditions has become increasingly reliant on laser-heated diamond anvil cell (LHDAC) techniques, which provide direct access to previously unexplored regions of multinary phase diagrams. Whereas numerous high-pressure phases have been identified in situ, systematic recovery and post-synthesis physical property characterization of these materials remain significant challenges. In this work, we describe the setup and implementation of an LHDAC-based synthesis and recovery workflow and demonstrate its application to metastable MnSb 2 and YbZn 2 phases. Synchrotron x-ray diffraction and spatial mapping confirm dominant formation of the targeted phases, whereas laboratory-based refinement quantifies phase fractions despite intrinsic microstrain and minor secondary phases. High-pressure transport measurements on recovered samples reveal pressure-tunable electronic instabilities in both systems. In MnSb 2 , pressure suppresses two high-temperature magnetic ordering anomalies, observed in transport, by ∼5 GPa and, for higher pressures, induces a new low-temperature feature that increases with further pressure increase. In hexagonal high-pressure YbZn 2 , an electronic reconstruction emerges at ∼11 GPa, characterized by semiconducting-like behavior from ∼30 to 300 K and a broad low-temperature coherence crossover near 30 K. Our results establish LHDAC synthesis not only as a structural discovery tool but also as an experimental platform for investigating correlated quantum states stabilized far from equilibrium thermodynamic conditions.

Huyan, S. [Iowa State University, Ames, IA (United↗

Solid state synthesis of layered sodium manganese oxide for sodium-ion battery by in-situ high energy X-ray diffraction and X-ray absorption near edge spectroscopy [Solid state synthesis of layered sodium manganese oxide for sodium-ion battery by in-situ HEXRD and XANES]

In situ high energy X-ray diffraction (HEXRD) and in situ X-ray absorption near edge spectroscopy (XANES) were carried out to understand the soild state synthesis of Na x MnO 2 , with particular interest on the synthesis of P2 type Na 2/3 MnO 2 . It was found that there were multi intermediate phases formed before NaMnO 2 appeared at about 600 °C. And the final product after cooling process is a combination of O'3 NaMnO 2 with P2 Na 2/3 MnO 2 . A P2 type Na 2/3 MnO 2 was synthesized at reduced temperature (600 °C). The influence of Na 2 CO 3 impurity on the electrochemical performance of P2 Na 2/3 MnO 2 was thoroughly investigated in our work. It was found that the content of Na 2 CO 3 can be reduced by optimizing Na 2 CO 3 /MnCO 3 ratio during the solid state reaction or other post treatment such as washing with water. Lastly, we expected our results could provide a good guide for future development of high performance cathode materials for sodium-ion batteries.

25 ENERGY STORAGE↗

Direct synthesis of thermochromic VO{sub 2} through hydrothermal reaction

Thermochromic VO{sub 2} was directly synthesized using hydrothermal techniques. The effects of formation conditions on the structure and morphology of the final product were studied through X-ray diffraction (XRD), and scanning electron microscopy (SEM). Unique hollow sphere morphology was observed for the synthesized VO{sub 2} powders. Ex-situ XRD studies after heat treatment confirmed the thermal stability of the VO{sub 2} structure. Thermochromic properties, as a consequence of the reversible structural transformation between monoclinic VO{sub 2} and tetragonal phases, were observed by Fourier transform infrared spectroscopy (FTIR). - Graphical abstract: Thermochromic VO{sub 2} crystals with hollow spherical and asterisk shape were directly synthesized using hydrothermal techniques. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) studies confirmed the thermal stability and the reversible thermochromic properties of the VO{sub 2} structure. - Highlights: • One-step synthesis of thermochromic VO{sub 2} monoclinic phase, and VO{sub 2} (A and B phases) using hydrothermal technique. VO{sub 2} (A), VO{sub 2} (B). • Identification of the relationship between synthesis conditions and the morphology/structure of the final products. • Formation of VO{sub 2} monoclinic phase with an interesting hollow sphere shape. • Demonstration of superior thermal stability of the VO{sub 2} monoclinic phase. • Characterizing the thermochromic properties of VO{sub 2} monoclinic phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis, characterization and magnetic properties of a manganese (II) silicate containing frustrated S=5/2 zig–zag ladders

The hydrothermal synthesis, structural characterization and magnetic properties of a manganese silicate with ideal formula of NaMn{sub 2}Si{sub 3}O{sub 8}(OH) is reported. This compound is a synthetic analog to the naturally occurring mineral Serandite. The crystal structure comprises MnO{sub 6} octahedra and SiO{sub 4} tetrahedra. The MnO{sub 6} share four edges with neighboring octahedra forming double chains. These chains are connected by silicate chains Si{sub 3}O{sub 8}(OH) resulting in an open framework structure with six-member ring channels where sodium ions are located. From the magnetic point of view, the intra-chain exchange between neighboring S=5/2 manganese ions is weak, partly due to the distortion observed in the octahedra, but also due to the frustrated topology of the chain. A successful fitting of the magnetic susceptibility was obtained by considering a double chain numerical model with Monte Carlo derived empirical parameters. -- Graphical abstract: A manganese silicate prepared hydrothermally with formula NaMn{sub 2}Si{sub 3}O{sub 8}(OH) possessing the structure of the mineral Serandite contains doubled chains of edge-sharing MnO{sub 6} octahedra. The magnetic susceptibility was measured and shows an antiferromagnetic behavior. Highlights: • Characterization of a synthetic analog to the mineral Serandite: NaMn{sub 2}Si{sub 3}O{sub 8}(OH). • Fitting of the magnetic susceptibility considering a classical regular chain. • Weak metal–oxygen–metal super-exchange interactions; antiferromagnetic in nature. • Elevated degree of frustration along the chain, without sign of interchain ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A new family of metal borohydride guanidinate complexes: Synthesis, structures and hydrogen-storage properties

We report on a new class of complex hydrides: borohydride guanidinate complexes (MBH{sub 4}·nCN{sub 3}H{sub 5}, M=Li, Mg, and Ca). They can be prepared via facile solid-state synthesis routes. Their crystal structures were successfully determined using a combination of X-ray diffraction, first-principles calculations and neutron vibrational spectroscopy. Among these compounds, Mg(BH{sub 4}){sub 2}·6CN{sub 3}H{sub 5} is composed of large complex Mg[CN{sub 3}H{sub 5}]{sub 6}{sup 2+} cations and surrounding BH{sub 4}{sup -} ions, while Ca(BH{sub 4}){sub 2}·2CN{sub 3}H{sub 5} possesses layers of corner-sharing Ca[BH{sub 4}]{sub 4}(CN{sub 3}H{sub 5}){sub 2} octahedra. Our dehydrogenation results show that ≈10 wt% hydrogen can be released from MBH{sub 4}·nCN{sub 3}H{sub 5} (M=Li, Mg, and Ca) at moderate temperatures with minimal ammonia and diborane contamination thanks to the synergistic effect of C-N bonds from guanidine and hydridic H from borohydrides leading to a weakening of the N-H bonds, thus impeding ammonia gas liberation. Further tuning the dehydrogenation with different cation species indicates that Mg(BH{sub 4}){sub 2}·nCN{sub 3}H{sub 5} can exhibit the optimum properties with nearly thermally neutral dehydrogenation and very high purity hydrogen release. - Graphical abstract: A new family of complex hydrides: borohydride guanidinates, was developed with diverse crystal structures and remarkable hydrogen storage properties. - Highlights: • A new family of complex hydrides, borohydride guanidinate complexes, are synthesized. • Their diverse crystal structures are determined using combined characterizations. • These compounds can release ~10 wt% pure H{sub 2} at moderate temperatures. • Dehydrogenation thermodynamics and H{sub 2} purity can be tuned by varying cation species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry

The synthesis and properties of an unusual, neutrally charged and volatile N,N,N',N'-tetramethylethylenediamine trimethyl manganese(III) complex, (TMEDA)MnMe 3 , are described, along with its facile disproportionation to the corresponding Mn(II) and Mn(IV) complexes. Characterization by single-crystal XRD, UV-vis spectroscopy, high-frequency and -field EPR (HFEPR), magnetic susceptibility, and density functional theory (DFT) computations indicate that the (TMEDA)MnMe3 electronic structure can be described as largely square pyramidal Mn(III) centered. The paucity of manganese(III) polyalkyls and the simplicity and reactivity of this compound implicate it as a potentially useful synthetic building block.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Investigation into the Effects of Mn Promotion on the Activity and Selectivity of Co/SiO 2 for Fischer - Tropsch Synthesis: Evidence for Enhanced CO Adsorption and Dissociation

Mn is an effective promoter for improving the activity and selectivity of Co-based Fischer-Tropsch synthesis (FTS) catalysts, but the mechanism by which this promoter functions is poorly understood. The work reported here was aimed at defining the manner in which Mn interacts with Co and determining how these interactions affect the activity and selectivity of Co. Detailed measurements are reported for the kinetics of FTS as a function of Mn/Co ratio, temperature, and reactant partial pressure. These data are described by a single, two-parameter rate expression. Mn promotion was found to increase both the apparent rate constant for CO consumption and the CO adsorption constant. Further evidence for enhanced CO adsorption and dissociation was obtained from measurements of temperature-programmed desorption of CO and CO disproportionation rates, respectively. Our quantitative analysis of elemental maps obtained by STEM-EDS revealed that the promoter accumulates preferentially on the surface of Co nanoparticles at low Mn loadings, resulting in a rapid onset of improvements in the product selectivity as the Mn loading increases. For catalysts prepared with loadings higher than Mn/Co = 0.1, the additional Mn accumulates in the form of nanometer-scale particles of MnO on the support. In situ IR spectra of adsorbed CO show that Mn promotion increases the abundance of adsorbed CO with weakened C-O bonds. Furthermore, it is proposed that the cleavage of the C-O bond is promoted through Lewis acid-base interactions between the Mn 2+ cations located at the edges of MnO islands covering the Co nanoparticles and the O atom of CO adsorbates adjacent to the MnO islands. The observed decrease in selectivity to CH 4 and the increased selectivity to C 5+ products with increasing Mn/Co ratio are attributed to a decrease in the ratio of adsorbed H to CO on the surface of the supported Co nanoparticles.

Johnson, Gregory R.↗

Ammonia Synthesis by a Supported Iron-Lithium Hydride Precatalyst: Silicon Nitride Support Enabled Synthesis and Nitrogen Reservoir Dynamics

Amorphous silicon nitride (Si 3 N 4 ) is an unconventional support for the chemisorption of organometallic complexes and offers potential improvements in active site stability and reactivity through enhanced metal-nitrogen covalency and orbital overlap in bonding interactions with the nitride framework. Here, we show that silicon nitride-supported iron mesityl complexes display divergent reactivity compared to their silica-supported homologues, resisting metallic particle formation under reducing pretreatment conditions (exposure to excess organolithium reagents) and maintaining active iron/lithium speciation under ammonia synthesis conditions that is absent on the oxide support. When the organometallic iron complex on silicon nitride is exposed to excess n-butyllithium, iron remains isolated, catalyzing the conversion of butyllithium to lithium hydride, resulting in a divalent iron site in a polyhydride environment. In contrast, the silica-supported complex is converted to reduced iron clusters without forming persistent isolated hydrides. These structural differences lead to markedly different catalytic behaviors under ammonia synthesis conditions. The Li/Fe/Si 3 N 4 catalyst is highly active (7.5 mol NH 3 /mol Fe/h at 300 °C, 10 bar, or 46 mol NH 3 /mol Fe/h at 400 °C, 10 bar), while both the silica-supported analog and the nonlithiated Si 3 N 4 -supported species are inactive. Notably, this activity is enhanced relative to previously reported iron-lithium hydride composite catalysts (0.43–4.1 mol NH 3 /mol Fe/h at 300 °C, 10 bar) and relative to the industrial benchmark promoted iron catalyst KM1 (3.0 mol NH 3 /mol Fe/h at 400 °C, 10 bar). The catalyst activation and LiH/LiNH x nitrogen reservoir dynamics for Li/Fe/Si 3 N 4 are studied by X-ray Absorption, Mössbauer, and in situ DRIFT spectroscopies and isotopic exchange kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis, crystal growth and characterization of the pyrochlore Er 2 Ti 2 O 7

Pyrochlore erbium titanate samples in the form of powders (with nominal compositions of Er 2 Ti 2+ x O 7 , -0.08 ≤ x ≤ 0.08) and bulk single crystals were prepared to elucidate the effect of synthesis and growth conditions on their composition, structure, and transition temperature. All the samples were characterized using X-ray diffraction and specific heat measurements. Larger lattice parameters were measured for Ti-deficient stuffed powders, Er 2 (Ti 2- x Er x )O 7- δ , while Ti-rich anti-stuffed powders, (Er 2- x Ti x )Ti 2 O 7+ δ , showed a decrease in the lattice parameter. The lattice parameter for the stoichiometrically synthesized powder, Er 2 Ti 2 O 7 , was measured to be a = 10.07522(9) Å. Single crystals grown by the conventional floating zone (FZ) technique were Ti deficient (stuffed) and darker in color due to oxygen vacancies. Using the traveling solvent floating zone (TSFZ) method, a high structural quality, transparent and stoichiometric Er 2 Ti 2 O 7 single crystal was grown at a lower temperature using the TiO 2 solvent. The heat capacity measurements of the TSFZ grown Er 2 Ti 2 O 7 crystal and stoichiometric powder exhibited a very close magnetic transition temperature T c of ~1.23 K that was suppressed in off-stoichiometric samples, demonstrating correlations between the stoichiometry and ground state magnetism in Er 2 Ti 2 O 7 .

optics, thermal conductivity, defects, charge tran↗

Convergent evolution of hetero-oligomeric cellulose synthesis complexes in mosses and seed plants

In seed plants, cellulose is synthesized by rosette-shaped Cellulose Synthesis Complexes (CSCs) that are obligate hetero-oligomeric, comprising three non-interchangeable Cellulose Synthase (CESA) isoforms. The moss Physcomitrella patens has rosette CSCs and seven CESAs, but its common ancestor with seed plants had rosette CSCs and a single CESA gene. Thus, if P. patens CSCs are hetero-oligomeric, then CSCs of this type evolved convergently in mosses and seed plants. Previous gene knockout and promoter swap experiments showed that PpCESAs from class A (PpCESA3 and PpCESA8) and class B (PpCESA6 and PpCESA7) have non-redundant functions in secondary cell wall cellulose deposition in leaf midribs, whereas the two members of each class are redundant. Based on these observations, we proposed the hypothesis that the secondary class A and class B PpCESAs associate to form hetero-oligomeric CSCs. Here we show that transcription of secondary class A PpCESAs is reduced when secondary class B PpCESAs are knocked out and vice versa, as expected for genes encoding isoforms that occupy distinct positions within the same CSC. The class A and class B isoforms co-accumulate in developing gametophores and co-immunoprecipitate, suggesting that they interact to form a complex in planta. Finally, secondary PpCESAs interact with each other, whereas three of four fail to self interact when expressed in two different heterologous systems. These results are consistent with the hypothesis that obligate hetero-oligomeric CSCs evolved independently in mosses and seed plants and we propose the constructive neutral evolution hypothesis as a plausible explanation for convergent evolution of hetero-oligomeric CSCs. This article is protected by copyright. All rights reserved.

biofuels (including algae and biomass), bio-inspir↗

Block Copolymers: Synthesis, Self-Assembly, and Applications

Research on block copolymers (BCPs) has played a critical role in the development of polymer chemistry, with numerous pivotal contributions that have advanced our ability to prepare, characterize, theoretically model, and technologically exploit this class of materials in a myriad of ways in the fields of chemistry, physics, material sciences, and biological and medical sciences. The breathtaking progress has been driven by the advancement in experimental techniques enabling the synthesis and characterization of a wide range of block copolymers with tailored composition, architectures, and properties. In this review, we briefly discussed the recent progress in BCP synthesis, followed by a discussion of the fundamentals of self-assembly of BCPs along with their applications.

applications↗