The enhanced stability and modified electronic structure of intermetallic compounds provide discovery superior catalysts for chemical conversions with high activity, selectivity, stability. We find that the NaAu2 is an active catalyst CO oxidation at low temperatures. From density functional theory calculations, a reaction mechanism suggested to explain observed barrier by NaAu2, in which molecule reacts directly adsorbed O2 form OOCO* intermediate. presence surface Na increases binding...

Golden opportunity: Na13Au12Ga15 is the first Na-containing, thermodynamically stable quasicrystal and was discovered during systematic exploration of polar intermetallic Na–Au–Ga system. Its electron-to-atom ratio, 1.75, extremely low for Bergman-type icosahedral phases, but it substantial Au content that allows Hume–Rothery stabilization promotes novel Na–Au polar–covalent interactions, which stabilize phase. Detailed facts importance to specialist readers are published as "Supporting...

The crystal structures of Gd5Rh4 and GdRh have been studied by powder single x-ray diffraction. results show that is isotypic with Pu5Rh4 the bond length short Rh-Rh dimer 2.943(4) Å. According to heat capacity measurements in zero magnetic field, ordering temperature 13 K, agreement magnetization measurements. Both peak shape positive slope Arrott plots at Curie (TC) indicate second-order nature transition. dependence measured 1 kOe applied field indicates noncollinear may change into...

Six new intermetallic compounds have been characterized in the alkali metal (A = Na, Rb, Cs)-gold-gallium systems. Three isostructural with general composition A(0.55)Au(2)Ga(2), two others of AAu(3)Ga(2) Cs), and related Na(13)Au(41.2)Ga(30.3) were synthesized via typical high-temperature reactions their crystal structures determined by single-crystal X-ray diffraction analysis: Na(0.56(9))Au(2)Ga(2) (I, I4/mcm, a 8.718(1) Å, c 4.857(1) Z 4), Rb(0.56(1))Au(2)Ga(2) (II, 8.950(1) 4.829(1)...

The design of new materials with desired chemical and physical characteristics requires thorough understanding the underlying composition-structure-property relationships experimental possibility their modification through controlled involvement components. From this point view, intermetallic phases, a class compounds formed by two or more metals, present an endless field combinations that produce several compound classes ranging from simple alloys to true ionic compounds. Polar...

The most favorable structures and the types of magnetic ordering predicted from first-principles-based methods in a family closely related transition-metal-rich indides EuT5In (T = Cu, Ag, Au) are gauged against relevant experiments. compounds adopt different structure for each coinage metal—EuCu5In (hR42; R3̅m, 5.0933(7), c 30.557(6) Å), EuAg5In (oP28; Pnma, 9.121(2), b 5.645(1), 11.437(3) EuAu5In (tI14; I4/mmm, 7.1740(3), 5.4425(3) Å)—and crystallize with Sr5Al9, CeCu6, YbMo2Al4 types,...

Complex metallic alloys belong to the vast family of intermetallic compounds and are hallmarked by extremely large unit cells and, in many cases, extensive crystallographic disorder. Early studies complex intermetallics were focusing on elucidation their crystal structures classification underlying building principles. More recently, ab initio computational analysis detailed examination physical properties have become feasible opened new perspectives for these materials. The present review...

A series of asymmetric and symmetric 1,3-dialkyltriazolium iodides were studied with hindsight to their application as electrolytes redox mediators in dye-sensitized solar cells (DSSCs). Compounds an alkyl chain length from C4 C10 present the characteristics ionic liquids (ILs), whilst those longer chains exhibit liquid crystallinity. All compounds show appreciable chemical thermal stability decomposition temperatures around 185–195 °C. Testing these DSSCs reveals significant changes...

A set of IL-forming ion combinations has been studied to gain a deeper understanding how, aside from obvious electrostatic interactions and size effects, secondary bonding such as hydrogen well halogen van der Waals along with conformational structural flexibility influence the crystallization behavior potentially IL forming salts. The scrutinized ions have specifically chosen allow for unraveling preferential functional groups that may favor or disfavor respect interactions, i.e., primary...

Hf 7 Pd Ga 3 has been obtained by arc melting the elements under argon atmosphere. The crystal structure of new compound determined from single‐crystal X‐ray diffraction data, while powder applied for characterization polycrystalline samples. ( oS 68, Cmce , a = 12.948(4), b 9.585(3), c 9.581(3) Å, Z 4) crystallizes with ternary version Zr Ni 10 type exhibiting statistical mixture palladium and gallium atoms on three crystallographically independent nickel sites. features Pd–Ga framework...

A new ternary rare-earth indide, ErCo2In, was synthesized by arc-melting and subsequent annealing at 1070 K for 720 h. The compound extends the RECo2In (RE = Y, Pr, Nd, Sm, Gd, Tb, Dy, Ho) series. Single-crystal X-ray diffraction revealed ErCo2In to crystallize in TbCo2In-type (a coloring variant of PrCo2Ga-type) structure type oP8, space group Pmma, Wyckoff sequence f2ea, а 4.999(4), b 4.029(3) c 7.078(5) Å. crystal characterization with methods further supplemented DFT materials...

A new ternary rare-earth indide, ErCo2In, was synthesized by arc-melting and subsequent annealing at 1070 K for 720 h. The compound extends the RECo2In (RE = Y, Pr, Nd, Sm, Gd, Tb, Dy, Ho) series. Single-crystal X-ray diffraction revealed ErCo2In to crystallize in TbCo2In-type (a coloring variant of PrCo2Ga-type) structure type oP8, space group Pmma, Wyckoff sequence f2ea, а 4.999(4), b 4.029(3) c 7.078(5) Å. crystal characterization with methods further supplemented DFT materials...

The K-Au-Ga system has been investigated at 350 °C for <50 at. % K. potassium gold gallides K(0.55)Au(2)Ga(2), KAu(3)Ga(2), KAu(2)Ga(4) and the solid solution KAu(x)Ga(3-x) (x = 0-0.33) were synthesized directly from elements via typical high-temperature reactions, their crystal structures determined by single X-ray diffraction: K(0.55)Au(2)Ga(2) (I, I4/mcm, a 8.860(3) Å, c 4.834(2) Z 4), KAu(3)Ga(2) (II, Cmcm, 11.078(2) b 8.486(2) 5.569(1) (III, Immm, 4.4070(9) 7.339(1) 8.664(2) 2),...

Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y 0.9) (I), BaAu6±xAl6±y 0.9, 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, their structures homogeneity ranges determined by single crystal powder X-ray diffraction. Whereas I II originate from the NaZn13-type structure (cF104–112, Fm3̅c), III (tP52, P4/nbm) is derived tetragonal Ce2Ni17Si9-type, IV (oP104, Pbcm) crystallizes in a new orthorhombic type. Both feature formally anionic networks with...

Direct quaternization of 1-methyl-1,2,4-triazole with n-alkyl methanesulfonates (alkyl = butyl, octyl, dodecyl) showed to be an atom-economic, convenient, mild, solvent- and halide-free way obtain 1,2,4-triazolium methanesulfonate ionic liquids in high purity yield. Subsequent metathesis lithium bis(trifluoromethanesulfonyl)amide (LiTf2N) allows for a much desired, easy access halide-free, liquids. Differential scanning calorimetry confirms that all investigated compounds qualify as (ILs)....

Crystals of ${\mathrm{SrMn}}_{2}{\mathrm{Sb}}_{2}$ and ${\mathrm{BaMn}}_{2}{\mathrm{Sb}}_{2}$ were grown using Sn flux characterized by powder single-crystal x-ray diffraction, respectively, electrical resistivity $\ensuremath{\rho}$, heat capacity ${C}_{\mathrm{p}}$, magnetic susceptibility $\ensuremath{\chi}$ measurements versus temperature $T$, magnetization field $M(H)$ isotherm measurements. adopts the trigonal ${\mathrm{CaAl}}_{2}{\mathrm{Si}}_{2}$-type structure, whereas crystallizes...

A simple, eco-friendly and efficient chemical separation of rare earth oxalates (CSEREOX) in water within two metals subgroups has been elaborated.

Electron-doped Sr(Co{1-x}Ni{x})2As2 single crystals with compositions x = 0 to 0.9 were grown out of self-flux and SrNi2As2 Bi flux. The characterized using single-crystal x-ray diffraction (XRD), magnetic susceptibility chi(H,T), isothermal magnetization M(H,T), heat capacity Cp(H,T), electrical resistivity ho(H,T) measurements versus applied field H temperature T. chi(T) data show that the exhibit an antiferromagnetic (AFM) ground state almost immediately upon Ni doping on Co site....

Abstract The combination of high efficiencies and long lifetime in a single light‐emitting electrochemical cell (LEC) device remain major problem LEC technology, preventing its application commercial lighting devices. Three green cationic iridium‐based complexes the general composition [Ir(C ^ N) 2 (N N)][PF 6 ] with 4‐Fppy (2‐(4‐fluorophenyl)pyridinato) as cyclometalating C N ligand 1,10‐phenanthroline ( 1 ), 4,7‐diphenyl‐1,10‐phenanthroline (bathophenanthroline, bphen,...

A series of four homologous silicides have been discovered during systematic explorations in the central part La-Ni-Si system at 1000 °C. All compounds La12.5Ni28.0Si18.3 (n = 3; a 28.8686(8), c 4.0737(2) Å, Z 3), La22.1Ni39.0Si27.8 4; 20.9340(6), 4.1245(2) 1), La32.9Ni49.8Si39.3 5; 24.946(1), 4.1471(5) and La44.8Ni66.1Si53.4 6; 28.995(5), 4.158(1) 1) crystallize hexagonal space group P63/m can be generalized according to Lan(n+1)+xNin(n+5)+ySi(n+1)(n+2)-z with n 3-6. Their crystal...

Bergman-type phases in the Na–Au–T (T = Ga, Ge, and Sn) systems were synthesized by solid-state means structurally characterized single-crystal X-ray diffraction studies. Two related (1/1) Bergman found Na–Au–Ga system: (a) a conventional (CB) structure, Na26AuxGa54–x, which features empty innermost icosahedra, as refined with x 18.1 (3), Im3̅, 14.512(2) Å, Z 2; (b) stuffed (SB) Na26AuyGa55–y, contains Ga-centered y 36.0 (1), 14.597(2) 2. Although these two subtypes have considerable phase...

A systematic exploration of Na- and Au-poor parts the Na-Au-Ga system (less than 15 at. % Na or Au) uncovered several compounds with novel structural features that are unusual for rest system. Four ternary Na1.00(3)Au0.18Ga1.82(1) (I), NaAu2Ga4 (II), Na5Au10Ga16 (III), NaAu4Ga2 (IV) have been synthesized structurally characterized by single crystal X-ray diffraction: Na1.00(3)Au0.18Ga1.82(1)(I, P6/mmm, a = 15.181(2), c =9.129(2)Å, Z 30); (II, Pnma, 16.733(3), b 4.3330(9), =7.358(3) Å, 4);...

The compound EuCo{2-y}As2 with the tetragonal ThCr2Si2 structure is known to contain Eu{+2} ions spin S = 7/2 that order below a temperature TN 47 K into an antiferromagnetic (AFM) proper helical ordered moments aligned in ab plane, perpendicular helix axis along c axis, no contribution from Co atoms. Here we carry out detailed investigation of properties single crystals. Enhanced and effective Eu spins are found most our Electronic calculations indicate enhanced arise polarization d bands,...

The progressive increase of both the Pauli paramagnetic temperature (<italic>θ</italic>_P) and Curie (<italic>T</italic>_C) observed with Co substitution at 4i site on going from binary Gd₃Ni₂ to ternary ordered Gd₃CoNi.