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RESEARCH PAPER · Inorganic Chemistry · 2007

Structure and Bonding in SnWO4, PbWO4, and BiVO4: Lone Pairs vs Inert Pairs

Matthew W. Stoltzfus, Patrick M. Woodward, Ram Seshadri, Jae-Hyun Klepeis, Bruce E. Bursten

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Structure and Bonding in SnWO4, PbWO4, and BiVO4: Lone Pairs vs Inert PairsOriginalSynthesis, Structure, Characterization, and Calculations of Two New Sn2+−W6+−oxides, Sn2WO5 and Sn3WO620Lead-Poisoned Zinc Fingers: Quantum Mechanical Exploration of Structure, Coordination, and Electronic Excitations24Crystal structure and chemical bonding in tin(II) acetate14(NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties88New Potassium Bismuth Thiophosphates Including the Modulated K1.5Bi2.5(PS4)317Low-temperature wet chemical synthesis and photoluminescence properties of YVO4: Bi3+, Eu3+ nanophosphors64A rare multi-coordinate tellurite, NH4ATe4O9·2H2O (ARb or Cs): The occurrence of TeO3, TeO4, and TeO5 Polyhedra in the same material66Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius306Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals734Alignment of Lone Pairs in a New Polar Material: Synthesis, Characterization, and Functional Properties of Li2Ti(IO3)6307New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12 and TlSe2V3O12125Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)306Effects of Hydrothermal Temperature on the Microstructures of BiVO4 and Its Photocatalytic O2 Evolution Activity under Visible Light210Effects of the homogeneous Bi3+ doping process on photoluminescence properties of YVO4:Bi3+,Eu3+ nanophosphor55Synthesis of BiYO3 for degradation of organic compounds under visible-light irradiation40The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation154Photophysical, Photoelectrochemical, and Photocatalytic Properties of Novel SnWO4 Oxide Semiconductors with Narrow Band Gaps153BiVO4 as a Visible-Light Photocatalyst Prepared by Ultrasonic Spray Pyrolysis217Syntheses, crystal and electronic structures of two new lead indium phosphates: Pb2In4P6O23 and Pb2InP3O116New thallium iodates—Synthesis, characterization, and calculations of Tl(IO3)3 and Tl4(IO3)6, [Tl+3Tl3+(IO3)6]25Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships147Lone electron-pair enhancement of SHG responses in eulytite-type compounds: A II 3 M III (PO 4 ) 3 (A = Pb, M = Bi; A = Ba, M = Bi, La)34Color-tunable luminescence for Bi3+/Ln3+:YVO4 (Ln = Eu, Sm, Dy, Ho) nanophosphors excitable by near-ultraviolet light88Effects of Citrate Additive on Transparency and Photostability Properties of YVO[sub 4]:Bi[sup 3+],Eu[sup 3+] Nanophosphor45Electrosynthesis of Bismuth Vanadate Photoelectrodes42Relativistic Effects and the Chemistry of the Heavier Main Group Elements61The effect of pressure on the structural and electronic properties of yttrium orthovanadate YVO4 compound: total-energy calculations6Flame-assisted synthesis of nanoscale, amorphous and crystalline, spherical BiVO4 with visible-light photocatalytic activity134Evidence for the existence of a PbCO3-II phase from high pressure X-ray measurements11Electronic structure of BiMO3 multiferroics and related oxides76Polar Hexagonal Tungsten Oxide (HTO) Materials: (1) Synthesis, Characterization, Functional Properties, and Structure−Property Relationships in A2(MoO3)3(SeO3) (A = Rb+ and Tl+) and (2) Classification, Structural Distortions, and Second-Harmonic Generating Properties of Known Polar HTOs104First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric Properties56The Role of Stereoactive Lone Pairs in Templated Vanadium Tellurite Charge Density Matching21Noncentrosymmetric Inorganic Oxide Materials: Synthetic Strategies and Characterisation Techniques8BaM(BS3)S (M = Sb, Bi): Two New Thioborate Compounds with One-Dimensional Polymeric Chain Structure20New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)295A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties76Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu4Bi5S10 and Bi2S351The effects of the introduction of Al atom into monoclinic BiVO4: a theoretical prediction26Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation361Synthesis, Crystal Structure, and Magnetic Properties of the Copper Selenite Chloride Cu5(SeO3)4Cl241Local Site Symmetry Determination of Scheelite-Type Structures by Eu3+ Spectroscopy61Crystal Chemistry of the Noncentrosymmetric Eulytites: A3Bi(XO4)3 (X = V, A = Pb; X = P, A = Ca, Cd, Sr, Pb)42Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material19Evaluation of synthetic routes to pigmentary grade bismuth vanadate25Nanoscale β-Sn1−WO4·nα-Sn—A highly efficient photocatalyst for daylight-driven degradation of organic dyes and its real “green” synthesis26Electronic structure and optical properties of monoclinic clinobisvanite BiVO4405Novel photocatalyst of V-based solid solutions for overall water splitting66Stereochemistry of post-transition metal oxides: revision of the classical lone pair model832Structure and energetics of low-index stoichiometric monoclinic clinobisvanite BiVO4 surfaces63Structure and property variations of lead iodide–organic coordination polymers tuned by substituted groups on phenanthroline9Syntheses, crystal structures and characterizations of two new quaternary thioborates: PbMBS4 (M = Sb, Bi)13Influence of the stereochemically active bismuth lone pair structure on ferroelectricity and photocalytic activity of Aurivillius phase Bi 2 WO674Synthesis and characterization of monoclinic BiVO4 nanorods and nanoplates via microemulsion-mediated hydrothermal method30Bi 2 O 3 , BiVO 4 , and Bi 2 WO 6 : Impact of Surface Properties on Photocatalytic Activity under Visible Light327Electronic Band Structure, Optical Properties, and Photocatalytic Hydrogen Production of Barium Niobium Phosphate Compounds (BaO–Nb2O5–P2O5)8Doping properties of monoclinic BiVO 4 studied by first-principles density-functional theory238New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O887Ab Initio Energy Landscape of GeF 2 : A System Featuring Lone Pair Structure Candidates23Ab Initio Energy Landscape of GeF2: A System Featuring Lone Pair Structure Candidates4Spectral conversion for solar cell efficiency enhancement using YVO4:Bi3+,Ln3+ (Ln = Dy, Er, Ho, Eu, Sm, and Yb) phosphors108Bis(μ2-2-(dimethylamino)ethoxo-N,O,O)-di(phenolato-O)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study17BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response503Factors in the Metal Doping of BiVO 4 for Improved Photoelectrocatalytic Activity as Studied by Scanning Electrochemical Microscopy and First-Principles Density-Functional Calculation454Optical Properties of Nanoscale Transition Metal Oxides3The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution167Incoherent Bi off-centering in Bi 2 Ti 2 O 6 O ′ and Bi 2 Ru 2 O 6 O ′ : Insulator versus metal44Theoretical investigations of the physical properties of zircon-type YVO440Crystal Structure and Magnetic Properties of Two New Antiferromagnetic Spin Dimer Compounds; FeTe3O7X (X = Cl, Br)22Roles of Bi, M and VO4 tetrahedron in photocatalytic properties of novel Bi0.5M0.5VO4 (M=La, Eu, Sm and Y) solid solutions for overall water splitting40Effect of bismuth substitution on crystal chemistry, photocatalysis and conductivity in Sr3V2O8: a new structural type in palmierite class4One-Pot Template-Free Hydrothermal Synthesis of Monoclinic Hollow Microspheres and Their Enhanced Visible-Light Photocatalytic Activity34ZnIO3(OH): a new layered noncentrosymmetric polar iodate – hydrothermal synthesis, crystal structure, and second-harmonic generating (SHG) properties36Preparation of PbYO composite photocatalysts for degradation of methyl orange under visible-light irradiation14Effects of high-pressure on the structural, vibrational, and electronic properties of monazite-type PbCrO 470Recent Progress on the Bismuth Containing Complex Oxide Photocatalysts27The motley family of polar compounds (MV)[M(X5−xX′x)] based on anionic chains of trans-connected M(III)(X,X′)6 octahedra (M=Bi, Sb; X, X′=Cl, Br, I) and methylviologen (MV) dications54Band-gap engineering in TiO 2 -based ternary oxides23Synthesis and luminescence properties of broad band greenish-yellow emitting LnVO4:Bi3+ and (Ln1, Ln2)VO4:Bi3+ (Ln=La, Gd and Y) as down conversion phosphors30Sterically Active Electron Pairs in Lead Sulfide? An Investigation of the Electronic and Vibrational Properties of PbS in the Transition Region Between the Rock Salt and the α‐GeTe‐Type Modifications44A Cationic Antimonite Chain Templated by Sulfate: [Sb6O74+][(SO42–)2]9Intrinsic defect in BiNbO4: A density functional theory study29Difference in valence band top of BiVO4 with different crystal structure116Efficient removal of methylene blue over composite-phase BiVO4 fabricated by hydrothermal control synthesis57Hybrid density functional study of the structural, bonding, and electronic properties of bismuth vanadate62Phase Stability of the Earth-Abundant Tin Sulfides SnS, SnS2, and Sn2S3256Phase relations and optoelectronic characteristics in the NdVO4–BiVO4 system33Facile Fabrication of Heterostructured Bi2O3–ZnO Photocatalyst and Its Enhanced Photocatalytic Activity297A Theoretical Study on the Mechanism of Photocatalytic Oxygen Evolution on BiVO4 in Aqueous Solution184Chemistry of Polar Transition-Metal Oxides1Morphology-controlled synthesis, characterization, and luminescence properties of KEu(MoO4)2 microcrystals40The New Promising Semiconductors: Metallates and Other Mixed Compounds3Understanding the defect chemistry of tin monoxide89Lattice Dynamics of β-SnWO4: Experimental and Ab Initio Calculations13A strategy for calibrating the actual quantum efficiency of quantum cutting in YVO4:Bi3+(Nd3+), Yb3+16Recent advances in the use of density functional theory to design efficient solar energy-based renewable systems16Synthesis of Ca3 (VO4)2:Eu3+, Bi3+ Nanophosphors in the Presence of Stearic Acid0Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.17Hydrothermal synthesis of meso/macroporous BiVO4 hierarchical particles and their photocatalytic degradation properties under visible light irradiation40Structural phase-dependent hole localization and transport in bismuth vanadate87Effects of pH on the Hierarchical Structures and Photocatalytic Performance of BiVO 4 Powders Prepared via the Microwave Hydrothermal Method219Why Are There So Few Perovskite Ferroelectrics?498Electronic Structures of Antimony Oxides109On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs)36Hydrothermal Synthesis and Photocatalytic Activities of Bi2WO6 with Different Surfactant2Surface structure and hole localization in bismuth vanadate: A first principles study38Adsorption-controlled growth of BiVO4 by molecular-beam epitaxy77New Insights into Bi2WO6 Properties as a Visible-Light Photocatalyst174Visible light photocatalysis and electron emission from porous hollow spherical BiVO4 nanostructures synthesized by a novel route25Microscopic origin of stereochemically active lone pair formation from orbital selective external potential calculations29Bonds, bands, and band gaps in tetrahedrally bonded ternary compounds: The role of group V lone pairs31Key Role of Bismuth in the Magnetoelastic Transitions of Ba3BiIr2O9 and Ba3BiRu2O9 As Revealed by Chemical Doping10Advanced chemical compositions and nanoarchitectures of bismuth based complex oxides for solar photocatalytic application151Electrophoretic Deposition and Characterization of Transparent Nanocomposite Films of YVO4:Bi3+,Eu3+ Nanophosphor and Silicone-Modified Acrylic Resin25Crystal structures of LaO1−xFxBiS2 (x~0.23, 0.46): Effect of F doping on distortion of Bi–S plane63High-Pressure Studies of Bi 2 S 397Extended x-ray absorption fine structure spectroscopy and first-principles study of SnWO410Origin of Ferroelectricity in a Family of Polar Oxides: The Dion—Jacobson Phases113Effect of polarizable lone pair cations on the second-harmonic generation (SHG) properties of noncentrosymmetric (NCS) Bi 2−x Y x TeO 5 (x = 0–0.2)24Localization and Impact of Pb-Non-Bonded Electronic Pair on the Crystal and Electronic Structure of Pb2YSbO66Recent progress on bismuth layer-structured ferroelectrics18Acentric Pseudo-Kagome Structures: The Solid Solution (Co 1– x Ni x ) 3 Sb 4 O 6 F 625Cation Exchange in a 3D Perovskite—Synthesis of Ni0.5TaO315Influence of 6s 2 lone pair electrons of Bi 3+ on its preferential site occupancy in fluorapatite, NaCa 3 Bi(PO 4 ) 3 F – An insight from Eu 3+ luminescent probe20Synthesis of BiVO4 nanosheets-graphene composites toward improved visible light photoactivity39Band-Gap Energy as a Descriptor of Catalytic Activity for Propene Oxidation over Mixed Metal Oxide Catalysts158Synthesis and Crystal Structure of the Iron(III) Oxotellurate(IV) Phosphate Oxide Chloride Fe11(TeO3)2(TeO4)3(PO4)2O4Cl35Optical processes in (Y,Bi)VO4doped with Eu3+or Pr3+15Isostructural Second-Order Phase Transition of β-Bi2O3 at High Pressures: An Experimental and Theoretical Study85Sr3Bi2(SeO3)6·H2O: A novel anionic layer consisting of second-order Jahn–Teller (SOJT) distortive cations9Facile synthesis of PbWO4: Applications in photoluminescence and photocatalytic degradation of organic dyes under visible light46Facile synthesis of nanostructured monoclinic bismuth vanadate by a co-precipitation method: Structural, optical and photocatalytic properties75External pressure and composition effects on the atomic and electronic structure of SnWO425Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate( iii ) thermochromic organic–inorganic hybrid74Recent theoretical progress in the development of photoanode materials for solar water splitting photoelectrochemical cells182Second-harmonic generation (SHG) and photoluminescence properties of noncentrosymmetric (NCS) layered perovskite solid solutions, CsBi 1−x Eu x Nb 2 O 7 (x = 0, 0.1, and 0.2)30Synthesis and Visible-light Photocatalytic Activities of Bi$lt;inf$gt;2$lt;/inf$gt;Sn$lt;inf$gt;2$lt;/inf$gt;O$lt;inf$gt;7$lt;/inf$gt;3Visible light photocatalytic degradation of wattle extract: effect of mixing CdWO 4 over a semiconductive ZnO photocatalyst25First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskite SnTiO3 and PbTiO336Molten salt synthesis and tunable photoluminescent properties of Eu3+–Tb3+ doped NaY(MoO4)2 microcrystals10Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τ δ121Visible-light photocatalytic activity of graphene oxide-wrapped Bi2WO6 hierarchical microspheres76Optical properties and visible-light-driven photocatalytic activity of Bi8V2O17 nanoparticles6On structure and methylene blue degradation activity of an Aurivillius-type photocatalyst of Bi4V2O11 nanoparticles45Visible‐Light‐Induced Degradation of Methylene Blue by SrBi 3 VO 8 Nanoparticles22New Insights Into BiVO 4 Properties as Visible Light Photocatalyst164Two Photoenergy Conversion Modes of YVO4:Eu3+ Nanoparticles: Photoluminescence and Photocatalytic Activity25Facile synthesis of Bi/BiOCl composite with selective photocatalytic properties48Ferroelastic domains improve photochemical reactivity: a comparative study of monoclinic and tetragonal (Bi 1−0.5x Na 0.5x )(V 1−x Mo x )O 4 ceramics24High-pressure x-ray absorption spectroscopy study of tin tungstates3

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  1. Synthesis, Structure, Characterization, and Calculations of Two New Sn2+−W6+−oxides, Sn2WO5 and Sn3WO6

    Inorganic Chemistry · 2007-07-21

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  2. Lead-Poisoned Zinc Fingers: Quantum Mechanical Exploration of Structure, Coordination, and Electronic Excitations

    Inorganic Chemistry · 2007-08-04

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  3. Crystal structure and chemical bonding in tin(II) acetate

    Polyhedron · 2007-09-25

    V. S. Stafeeva, Alexander S. Mitiaev, Artem M. Abakumov, Alexander A. Tsirlin, Artyom M. Makarevich, Evgeny V. Antipov

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  4. (NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties

    Chemistry of Materials · 2007-10-09

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  5. New Potassium Bismuth Thiophosphates Including the Modulated K1.5Bi2.5(PS4)3

    Inorganic Chemistry · 2007-11-20

    Matthew A. Gave, David P. Weliky, Mercouri G. Kanatzidis

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  6. Low-temperature wet chemical synthesis and photoluminescence properties of YVO4: Bi3+, Eu3+ nanophosphors

    Journal of Luminescence · 2008-03-05

    Satoru Takeshita, Tetsuhiko Isobe, Seiji Niikura

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  7. A rare multi-coordinate tellurite, NH4ATe4O9·2H2O (ARb or Cs): The occurrence of TeO3, TeO4, and TeO5 Polyhedra in the same material

    Journal of Solid State Chemistry · 2008-05-08

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  8. Optical absorption of divalent metal tungstates: Correlation between the band-gap energy and the cation ionic radius

    Europhysics Letters (EPL) · 2008-07-01

    R. Lacomba-Perales, Javier Ruiz‐Fuertes, Daniel Errandonea, D. Martínez‐García, Alfredo Segura

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  9. Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

    Chemistry of Materials · 2009-01-14

    Aron Walsh, Yanfa Yan, Muhammad N. Huda, Mowafak M. Al-Jassim, Su‐Huai Wei

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  10. Alignment of Lone Pairs in a New Polar Material: Synthesis, Characterization, and Functional Properties of Li2Ti(IO3)6

    Journal of the American Chemical Society · 2009-02-04

    Hong‐Young Chang, Sang-Hwan Kim, P. Shiv Halasyamani, Kang Min Ok

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  11. New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12 and TlSe2V3O12

    Chemistry of Materials · 2009-03-24

    Hong Chang, Sang-Hwan Kim, Kang Min Ok, P. Shiv Halasyamani

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  12. Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)

    Journal of the American Chemical Society · 2009-04-22

    Hong‐Young Chang, Sang-Hwan Kim, Kang Min Ok, P. Shiv Halasyamani

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  13. Effects of Hydrothermal Temperature on the Microstructures of BiVO4 and Its Photocatalytic O2 Evolution Activity under Visible Light

    Inorganic Chemistry · 2009-04-28

    Dingning Ke, Tianyou Peng, Liang Ma, Ping Cai, Ke Dai

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  14. Effects of the homogeneous Bi3+ doping process on photoluminescence properties of YVO4:Bi3+,Eu3+ nanophosphor

    Journal of Luminescence · 2009-05-05

    Satoru Takeshita, Tetsuhiko Isobe, Tomohiro Sawayama, Seiji Niikura

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  15. Synthesis of BiYO3 for degradation of organic compounds under visible-light irradiation

    Catalysis Communications · 2009-05-08

    Zuzeng Qin, Zili Liu, Yanbin Liu, Kedi Yang

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  16. The electronic structures of vanadate salts: Cation substitution as a tool for band gap manipulation

    Journal of Solid State Chemistry · 2009-05-09

    Michelle Dolgos, Alexandra M. Paraskos, Matthew W. Stoltzfus, Samantha C. Yarnell, Patrick M. Woodward

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  17. Photophysical, Photoelectrochemical, and Photocatalytic Properties of Novel SnWO4 Oxide Semiconductors with Narrow Band Gaps

    The Journal of Physical Chemistry C · 2009-05-26

    In Sun Cho, Chae Hyun Kwak, Dongwook Kim, Sangwook Lee, Kug Sun Hong

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  18. BiVO4 as a Visible-Light Photocatalyst Prepared by Ultrasonic Spray Pyrolysis

    The Journal of Physical Chemistry C · 2009-06-15

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  19. Syntheses, crystal and electronic structures of two new lead indium phosphates: Pb2In4P6O23 and Pb2InP3O11

    Solid State Sciences · 2009-07-09

    Weilong Zhang, Hao Zhang, Zhi Xie, Song-Ling Yang, Dan Zhao, Chang‐Zhen He, Wen‐Dan Cheng

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  20. New thallium iodates—Synthesis, characterization, and calculations of Tl(IO3)3 and Tl4(IO3)6, [Tl+3Tl3+(IO3)6]

    Journal of Solid State Chemistry · 2009-09-24

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  21. Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships

    Chemistry of Materials · 2009-10-12

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  22. Lone electron-pair enhancement of SHG responses in eulytite-type compounds: A II 3 M III (PO 4 ) 3 (A = Pb, M = Bi; A = Ba, M = Bi, La)

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  23. Color-tunable luminescence for Bi3+/Ln3+:YVO4 (Ln = Eu, Sm, Dy, Ho) nanophosphors excitable by near-ultraviolet light

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  24. Effects of Citrate Additive on Transparency and Photostability Properties of YVO[sub 4]:Bi[sup 3+],Eu[sup 3+] Nanophosphor

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  25. Electrosynthesis of Bismuth Vanadate Photoelectrodes

    Electrochemical and Solid-State Letters · 2010-01-01

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  26. Relativistic Effects and the Chemistry of the Heavier Main Group Elements

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  27. The effect of pressure on the structural and electronic properties of yttrium orthovanadate YVO4 compound: total-energy calculations

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  28. Flame-assisted synthesis of nanoscale, amorphous and crystalline, spherical BiVO4 with visible-light photocatalytic activity

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  29. Evidence for the existence of a PbCO3-II phase from high pressure X-ray measurements

    Zeitschrift für Kristallographie · 2010-02-17

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  30. Electronic structure of BiMO3 multiferroics and related oxides

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    John A. McLeod, Z. V. Pchelkina, Larisa D. Finkelstein, Ernst Z. Kurmaev, Regan George Wilks, A. Moewes, Igor V. Solovyev, Alexei А. Belik, Eiji Takayama‐Muromachi

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  31. Polar Hexagonal Tungsten Oxide (HTO) Materials: (1) Synthesis, Characterization, Functional Properties, and Structure−Property Relationships in A2(MoO3)3(SeO3) (A = Rb+ and Tl+) and (2) Classification, Structural Distortions, and Second-Harmonic Generating Properties of Known Polar HTOs

    Chemistry of Materials · 2010-04-27

    Hong Chang, Sun Woo Kim, P. Shiv Halasyamani

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  32. First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric Properties

    Advanced Materials · 2010-05-05

    Masanobu Nakayama, Masayuki Nogami, Masashi Yoshida, Tetsuhiro Katsumata, Yoshiyuki Inaguma

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  33. The Role of Stereoactive Lone Pairs in Templated Vanadium Tellurite Charge Density Matching

    Inorganic Chemistry · 2010-05-11

    Kelvin B. Chang, Desmond J. Hubbard, Mat­thias Zeller, Joshua Schrier, Alexander J. Norquist

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  34. Noncentrosymmetric Inorganic Oxide Materials: Synthetic Strategies and Characterisation Techniques

    Unknown journal · 2010-06-11

    P. Shiv Halasyamani

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  35. BaM(BS3)S (M = Sb, Bi): Two New Thioborate Compounds with One-Dimensional Polymeric Chain Structure

    Inorganic Chemistry · 2010-06-17

    Lei Geng, Wen‐Dan Cheng, Weilong Zhang, Chensheng Lin, Hao Zhang, Ye‐Yu Li, Zhangzhen He

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  36. New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)2

    Inorganic Chemistry · 2010-06-29

    Min Kyung Kim, Sang-Hwan Kim, Hong‐Young Chang, P. Shiv Halasyamani, Kang Min Ok

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  37. A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties

    Inorganic Chemistry · 2010-07-07

    Jeongho Yeon, Sang-Hwan Kim, P. Shiv Halasyamani

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  38. Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu4Bi5S10 and Bi2S3

    Journal of Solid State Chemistry · 2010-07-21

    L. A. Olsen, Javier López-Solano, Alberto Garcı́a, T. Balić-Žunić, Emil Makovicky

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  39. The effects of the introduction of Al atom into monoclinic BiVO4: a theoretical prediction

    Theoretical Chemistry Accounts · 2010-08-18

    Shanshan Yao, Kaining Ding, Yongfan Zhang

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  40. Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation

    Journal of the American Chemical Society · 2010-08-25

    Yi‐Zhi Huang, Li‐Ming Wu, Xin‐Tao Wu, Long-Hua Li, Ling Chen, Yongfan Zhang

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  41. Synthesis, Crystal Structure, and Magnetic Properties of the Copper Selenite Chloride Cu5(SeO3)4Cl2

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  42. Local Site Symmetry Determination of Scheelite-Type Structures by Eu3+ Spectroscopy

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  43. Crystal Chemistry of the Noncentrosymmetric Eulytites: A3Bi(XO4)3 (X = V, A = Pb; X = P, A = Ca, Cd, Sr, Pb)

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  44. Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material

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  45. Evaluation of synthetic routes to pigmentary grade bismuth vanadate

    Dyes and Pigments · 2010-12-08

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  46. Nanoscale β-Sn1−WO4·nα-Sn—A highly efficient photocatalyst for daylight-driven degradation of organic dyes and its real “green” synthesis

    Applied Catalysis B: Environmental · 2010-12-22

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  47. Electronic structure and optical properties of monoclinic clinobisvanite BiVO4

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  48. Novel photocatalyst of V-based solid solutions for overall water splitting

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  49. Stereochemistry of post-transition metal oxides: revision of the classical lone pair model

    Chemical Society Reviews · 2011-01-01

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  50. Structure and energetics of low-index stoichiometric monoclinic clinobisvanite BiVO4 surfaces

    RSC Advances · 2011-01-01

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