Abstract Efficient oxygen-evolution reaction catalysts are required for the cost-effective generation of solar fuels. Metal selenides have been reported as promising catalysts; however, their active forms yet to be elucidated. Here we show that a representative selenide catalyst, nickel selenide, is entirely converted into hydroxide under conditions. This result indicates metal unstable during oxygen evolution, and in situ generated oxides responsible activity. knowledge inspired us...

By combination of Nb(5+) (having a d(0) electronic configuration) and the lone-pair-containing iodate anion, new SHG material, BaNbO(IO(3))(5), has been prepared. It exhibits very large response (approximately 14 times that KH(2)PO(4) approximately 660 alpha-SiO(2)) is phase-matchable. The material high thermal stability wide transparent region.

Abstract A new SHG material, namely, Pb 2 (BO 3 )(NO ), which contains parallel π‐conjugated nitrate and borate anions, was obtained through a facile hydrothermal reaction by using Pb(NO ) Mg(BO ⋅H O as starting materials. Its structure honeycomb [Pb )] ∞ layers with noncoordination [NO ] − anions located at the interlayer space. shows remarkable strong response of approximately 9.0 times that potassium dihydrogen phosphate (KDP) material is also phase‐matchable. The large coefficient arises...

Four new potassium vanadyl iodates based on lone-pair-containing IO3 and second-order Jahn−Teller distorted VO5 or VO6 asymmetric units, namely, α-KVO2(IO3)2(H2O) (Pbca), β-KVO2(IO3)2(H2O) (P212121), K4[(VO)(IO3)5]2(HIO3)(H2O)2·H2O (P1), K(VO)2O2(IO3)3 (Ima2) have been successfully synthesized by hydrothermal reactions. exhibit two different types of 1D [VO2(IO3)2]− anionic chains. Neighboring octahedra in the α-phase are corner-sharing into a chain with groups attached both sides uni-...

The first metal iodate fluoride, Bi(IO3 )F2 , with a strong second harmonic generation (SHG) effect has been prepared. crystallizes in the polar space group C2 and features three-dimensional [BiF2 ]+ cationic framework IO3 groups capping inner walls of one-dimensional tunnels. This acts as template for assembly units favorable superposed fashion, which leads to structure material. displays rather wide transmittance window (0.3-11 μm) exhibits very SHG response that is about 11.5 times larger...

The synthesis, crystal structure, and characterizations of a new noncentrosymmetric vanadyl iodate NaVO2(IO3)2(H2O), are reported. NaVO2(IO3)2(H2O) crystallizes in the polar monoclinic space group P21 (No. 4) with = 9.114(1) Å, b 5.2146(5) c 9.216(1) β 111.298(8)°. It displays unique layered structure composed 1D right-handed helical chains [(VO2)(IO3)2]− anions along b-axis that bridged by sodium(I) ions. polarity is imparted alignment stereochemically active lone pairs b-axis. On basis...

A new alkali-metal borogermanate with noncentrosymmetric structure, namely, Cs2GeB4O9, has been discovered, and a large crystal dimensions of 20 × 16 8 mm3 grown by high-temperature top-seeded solution method using Cs2O–B2O3 as flux. The compound crystallizes in the tetragonal space group I4̅ = b 6.8063(2) Å, c 9.9523(7) V 461.05(4) Å3, Z 2. It features three-dimensional anionic open framework based on GeO4 tetrahedra B4O9 clusters that are interconnected via corner-sharing, forming...

The replacement of NbO6 octahedra in Pb2NbO2(SeO3)2Cl by the TiO5F Pb2TiOF(SeO3)2Cl induced a very large SHG enhancement from 2.3 × to 9.6 KDP (KH2PO4), and both materials are type-I phase matchable. Theoretical calculations based on DFT methods indicate that inclusion F− anions d0-TM octahedral coordination unit has great impact band structure material.

Two new noncentrosymmetric isomeric silver polyiodates, namely, α-AgI3O8 (Pnc2) and β-AgI3O8 (I4̅), have been synthesized through the hydrothermal reactions of AgNO3 with I2O5. Both isomers exhibit layered structures that are constructed from I3O8– anions interconnected by Ag+ cations. The main structural difference between two lies in different stacking fashions [AgI3O8] layers along c axis order to meet requirements their space groups. Powder second-harmonic generation (SHG) measurements...

Hg-based chalcogenides, Hg 3 AsS 4 Cl and Br, are synthesized, which show superior comprehensive linear nonlinear optical properties for promising IR applications.

The synthesis, crystal and electronic structures, optical properties of the first zinc(II) vanadium(V) iodate, namely, Zn2(VO4)(IO3), are reported. Zn2(VO4)(IO3) crystallizes in noncentrosymmetric (NCS) polar space group Pc (No. 7) with a = 5.2714(8) Å, b 10.0402(11) c 5.5070(8) β 101.326(10)°, Z 2. It displays novel three-dimensional (3D) network structure composed ZnO5, ZnO6, VO4, IO3 polyhedra. One-dimensional (1D) chains edge-sharing ZnO5 polyhedra 1D corner-sharing ZnO6 octahedra along...

To develop new mid-infrared (MIR) nonlinear optical (NLO) materials, which can overcome the low laser damage threshold (LDT) of commercial MIR-NLO crystals (AgGaS2 , AgGaSe2 and ZnGeP2 ) simultaneously keep large NLO susceptibility, is necessary for high-power MIR frequency conversion technology. improve LDT, a strategy increasing lattice stability was adopted. Here, strongly covalent structural unit PS4 tetrahedron introduced into AgGaS2 (AGS), that led to isolation first compound in AgI...

Abstract The first metal iodate fluoride, Bi(IO 3 )F 2 , with a strong second harmonic generation (SHG) effect has been prepared. crystallizes in the polar space group C2 and features three‐dimensional [BiF ] + cationic framework IO groups capping inner walls of one‐dimensional tunnels. This acts as template for assembly units favorable superposed fashion, which leads to structure material. displays rather wide transmittance window (0.3–11 μm) exhibits very SHG response that is about 11.5...

Three novel rubidium borogermanates with three types of noncentrosymmetric structures, namely, RbGeB3O7, Rb2GeB4O9, and Rb4Ge3B6O17, have been synthesized by high-temperature solid-state reactions in platinum crucibles. The structure RbGeB3O7 features a three-dimensional (3D) anionic framework composed cyclic B3O7 groups corner-sharing GeO4 tetrahedra. Rb2GeB4O9 shows 3D based on B4O9 clusters connected tetrahedra via corner sharing. Rb4Ge3B6O17 is B3O8 groups, Ge2O7 dimers, that are...

Hydrothermal reactions of PbCO3 (or PbCl2), V2O5, and SeO2 in KOH solution or HF resulted three new lead(II)-vanadium(V) mixed-metal selenites, namely, Pb4V6O16(SeO3)3(H2O) (1), Pb2VO2(SeO3)2Cl (2), PbVO2(SeO3)F (3). Compounds 1 2 are polar (space group P21), whereas compound 3 is centrosymmetric Pbca). Compound displays an unusual [V6O16(SeO3)3](8-) anionic chain, which composed by a 1D [V4O12](2-) chain that further decorated dimeric [V2O6(SeO3)3](8-) units via corner-sharing. features two...

Two new rubidium iodates, namely, β-RbIO3(HIO3)2 (1, P1) and Rb3(IO3)3(I2O5)(HIO3)4(H2O) (2, P21/c), have been synthesized by hydrothermal reaction their structures determined single-crystal X-ray diffraction. Compound 1 exhibits IO3(-) anions neutral HIO3 molecules which are interconnected Rb(+) cations into three-dimensional structure. 2 features a two-dimensional layered structure formed dimeric I2O5 cations. Large bulk crystal of with dimensions several millimeters has grown. UV-vis-NIR...

Abstract A new SHG material, namely, Pb 2 (BO 3 )(NO ), which contains parallel π‐conjugated nitrate and borate anions, was obtained through a facile hydrothermal reaction by using Pb(NO ) Mg(BO ⋅H O as starting materials. Its structure honeycomb [Pb )] ∞ layers with noncoordination [NO ] − anions located at the interlayer space. shows remarkable strong response of approximately 9.0 times that potassium dihydrogen phosphate (KDP) material is also phase‐matchable. The large coefficient arises...

Systematic explorations of new compounds in the La(3+)-V(4+)/V(5+)-iodate system led to three lanthanum(III) vanadium iodates, namely, LaVO(IO(3))(5), LaV(2)O(6)(IO(3)), and LaVO(2)(IO(3))(4).H(2)O. LaVO(IO(3))(5) is isostructural with LaTiO(IO(3))(5) its structure contains a 0D [VO(IO(3))(5)](3-) anionic unit composed one VO(6) octahedron linked five IO(3)(-) groups. Such units are separated by La(3+) ions. LaV(2)O(6)(IO(3)) exhibits unique 3D framework 1D [V(2)O(6)](2-) ladder like chains...

An organic ligand 4-(1,2,4-triazol-1-yl) benzoic acid (Htzbc) with a nonlinear optical (NLO) chromophore has been synthesized. Reaction of Zn(NO3)2 Htzbc in 1-n-butyl-3-methylimidazolium tetrafluoroborate ionic liquid afforded compound Zn(tzbc)2 (1). The solid and 1 crystallize the acentric Pn Cc space groups, respectively. tetrahedral Zn2+ center coordinates to two triazole nitrogen atoms carboxylate oxygen from four tzbc– ligands, leading noncentrosymmetric 5-fold interpenetrating...

Using lead metaborate as starting material, by only adjusting pH values of the reaction systems, a series lead(II) borates were obtained in high yields. The new polar namely, Pb2B3O5.5(OH)2 (1), crystallizes noncentrosymmetric space group Pnn2 orthorhombic system. Its structure features novel three-dimensional (3D) anionic network with large 14 member rings (MRs) tunnels composed unique one-dimensional (1D) chains and dimeric B2O7 fragments, both which are built up from solely BO4...

Two new alkaline-earth strontium borogermanates, namely, SrGe2B2O8 and Sr3Ge2B6O16, have been successfully synthesized through high-temperature solid state reactions. They represent the first examples of borogermanates. crystallized in space group Pnma, its structure features a novel three-dimensional [Ge2B2O8](2-) framework composed alternative linkages B2O7 Ge2O7 dimeric units with one-dimensional (1D) tunnels eight-membered rings (MRs) along b axis that are filled by Sr(2+) cations....

The first examples of metal borotellurates, namely, Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu) have been prepared by using solid-state reactions. They possess similar structures and crystallize in space group P21/c (No. 14). These compounds feature a novel [RE2TeO4(BO3)2](2-) 3D network structure composed linear [TeO4(BO3)2](8-) anions interconnected RE(3+) ions with the voids filled Na(+) ions. exhibit high thermal stability (higher than 800 °C). Results magnetic measurements on Dy, Ho, Er indicate...