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RESEARCH PAPER · Nature · 2002

The structure and chemistry of the TiO2-rich surface of SrTiO3 (001)

Natasha Erdman, Kenneth Reinhard Poeppelmeier, Mark Asta, Oliver Warschkow, Donald E. Ellis, Laurence D. Marks

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The structure and chemistry of the TiO2-rich surface of SrTiO3 (001)OriginalNanoscale analysis of a Co-SrTiO3 interface in a Magnetic tunnel junction0Understanding photoelectrochemical solar cells8Edge effects2A first example of polyoxotungstate-based giant molecule. Synthesis and molecular structure of a tetrapod-shaped Ti–O–Ti bridged anhydride form of Dawson tri-titanium( iv )-substituted polyoxotungstate43Nanocrystals: Solving Crystal Structures Using Electron Crystallography5Role of interface states associated with transitional nanophase precipitates in the photoluminescence enhancement of SrTiO 3 ∶Pr 3+ ,Al 3+58The surface science of titanium dioxide7925SrTiO3() surface structures under oxidizing conditions65Evolution of classical/quantum methodologies: applications to oxide surfaces and interfaces21Nanostructures on La-doped SrTiO3 surfaces9Core level and valence band investigation of WO3 thin films with synchrotron radiation62Single-Crystal Growth of Magnesium Orthovanadate, Mg3(VO4)2, by the Optical Floating Zone Technique22Surface electronic properties of polycrystalline WO3 thin films: a study by core level and valence band photoemission79Thin Pt films on the polar SrTiO3(111) surface: an experimental and theoretical study64Surface Structures of SrTiO 3 (001): A TiO 2 -rich Reconstruction with a c(4 × 2) Unit Cell143Electronic and structural properties of a 4d perovskite: Cubic phase of SrZrO3110Tetrameric, Trititanium( IV )‐Substituted Polyoxotungstates with an α‐Dawson Substructure as Soluble Metal‐Oxide Analogues: Molecular Structure of the Giant “Tetrapod” [(α‐1,2,3‐P2W15Ti3O62)4{μ3‐Ti(OH)3}4Cl]45−80Surface structure of SrTiO3(1 0 0)159Surface crystallography via electron microscopy21Gas Sensing with Nanocrystalline Magnetic Perovskite Oxides5High-resolution transmission electron microscopy: the ultimate nanoanalytical technique81Preparation of tabular TiO2–SrTiO3–δcomposite for photocatalytic electrode33REFERENCES0Simulating the structure and reactivity of oxide surfaces from first principles1Ab initiocalculations of the SrTiO3 (110) polar surface97Temperature dependence of the interfacial spin polarization of La2/3Sr1/3MnO3143Pt thin films on stepped SrTiO3 surfaces: SrTiO3(620) and SrTiO3(622)12Faster acquisition of structure-factor amplitudes in surface X-ray diffraction experiments13Gas Sensing with Perovskite-like Oxides Having ABO3 and BO3 Structures49Visible light-induced photobleaching of methylene blue aqueous solution using (Sr1−La )TiO3+–TiO2 composite powder33Growth of SrTiO3 thin films on BaxSr1−xTiO3 (x=0.3, 0.5) seed layers on Ni (200) substrates using spin coating technique10Sr Ti O 3 ( 001 ) ( 2 × 1 ) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images172EDM 1.0: Electron direct methods28TiO2-rich reconstructions of SrTiO3(001): a theoretical study of structural patterns62In Situ XPS Studies of Perovskite Oxide Surfaces under Electrochemical Polarization95Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite19DFT study of Pt adsorption on low index SrTiO3 surfaces: SrTiO3(100), SrTiO3(111) and SrTiO3(110)45Initial stages of WO3 growth on silicon substrates6Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions25Atomic structure of a long-range ordered vicinal surface of SrTiO310Atomic Resolution Transmission Electron Microscopy of Surfaces14Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions8Ion-induced damage accumulation and electron-beam-enhanced recrystallization in SrTiO3115Physics of thin-film ferroelectric oxides2295Structure of vapour deposited adenine on a nanostructured perovskite surface studied by STM7First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of Sr Ti O 3167Bimodal Growth of Au on SrTiO3(001)71Near-Surface Structural Phase Transition of SrTiO3 Studied with Zero-Field β -Detected Nuclear Spin Relaxation and Resonance83Low Temperature Synthesis of TiO2 / SrTiO3 Films on Ti Substrate6Ordering of TiO2-Based Nanostructures on SrTiO3(001) Surfaces63Valence band and surface core-level shift studies of the oxygen-induced p(3×1) reconstruction of the W(100) surface2Interfaces in {100} epitaxial heterostructures of perovskite oxides32Synthesis of ordered ZnO nanorods film on zinc-coated Si substrate and their photoluminescence property22SrTiO3(001) reconstructions: the (2×2) to c(4×4) transition62Non-linear damage accumulation in Au-irradiated SrTiO317Hybrid HF‐DFT comparative study of SrZrO3and SrTiO3(001) surface properties27Nanostructure of a vicinal surface of SrTiO3 : Order on two length scales13Irradiation behavior of SrTiO3 at temperatures close to the critical temperature for amorphization27Decay of multilayer holes on SrTiO3(0 0 1)3C70 ordering on nanostructured SrTiO3(001)11Oxide Surfaces in Practical and Model Catalytic Systems0Periodic models in quantum chemical simulations of F centers in crystalline metal oxides73References0Surface effects in the energy loss near edge structure of different cobalt oxides49Strontium titanate surfaces44Surface of Strontium Titanate125Adsorption of water on (001) surface of SrTiO3 and SrZrO3 cubic perovskites: Hybrid HF-DFT LCAO calculations83Chiral surfaces and metal/ceramic heteroepitaxy in the Pt/SrTiO3(621) system12Electronic structure and thermodynamic stability of double-layered SrTiO3(001) surfaces:Ab initiosimulations110(13×13)R13.9° and (7×7)R19.1° reconstructions of the polar SrTiO3(111) surface39Unit‐Cell‐Level Assembly of Metastable Transition‐Metal Oxides by Pulsed‐Laser Deposition27Unit‐Cell‐Level Assembly of Metastable Transition‐Metal Oxides by Pulsed‐Laser Deposition6SrTiO3(001)−(5×5)−R26.6° reconstruction: A surface resulting from phase separation in a reducing environment54Atomic-scale structure of the SrTiO3(001)−c(6×2) reconstruction: Experiments and first-principles calculations63First-principles calculations of BaZrO3(001) and (011) surfaces50Interaction of nanostructured metal overlayers with oxide surfaces794Surface structure of SrTiO3(001)61The water adsorption on the surfaces of SrMO3(M= Ti, Zr, and Hf) crystalline oxides: quantum and classical modelling26Polarity of oxide surfaces and nanostructures735In-situ transmission electron microscopy investigation of TiO islands nucleating on SrTiO3 (100) and (110) surfaces at high temperature0Time-resolved photoluminescence of n-doped SrTiO321Scanning probe microscopy of oxide surfaces: atomic structure and properties80First-principles calculations of atomic and electronic structure of SrTiO3 (001) and (011) surfaces158Reconstructions on the polar SrTiO3 (110) surface: Analysis using STM, LEED, and AES58Orientation‐dependent surface composition of i n situ annealed strontium titanate23Evolution of the Structure and Thermodynamic Stability of the BaTiO 3 ( 001 ) Surface110Time, temperature, and oxygen partial pressure-dependent surface reconstructions on SrTiO3(111): A systematic study of oxygen-rich conditions25Electron microscopy of Fe and FeB atomic clusters in the Fe-based amorphous alloys structure0Ab initiocalculations of the atomic and electronic structure of CaTiO3 (001) and (011) surfaces76Pt interactions with annealed and chemically-etched Nb-doped SrTiO3(001) surfaces: Metal/oxide surface chemical effects on band bending behavior13Atypical grain growth for (211) CdTe films deposited on surface reconstructed (100) SrTiO3 substrates16Crystallographic perturbations to valence charge density and hydrogen-surface interactions2Characterization and properties of microwave plasma-treated SrTiO324Response of strontium titanate to ion and electron irradiation93Surface structure of strontium titanate37The small unit cell reconstructions of SrTiO3(111)34Surface structure for Au on (001) SrTiO35Cationic Disorder and Phase Segregation in LaAlO3/SrTiO3 Heterointerfaces Evidenced by Medium-Energy Ion Spectroscopy126AB INITIO CALCULATIONS OF SrTiO3, BaTiO3, PbTiO3, CaTiO3 AND BaZrO3 (001) AND (011) SURFACES13In Situ Synchrotron Characterization of Complex Oxide Heterostructures0Size Effects in the Li4+xTi5O12 Spinel405Nanometer-Scale Striped Surface Terminations on Fractured SrTiO3 Surfaces47Oxygen adatoms at SrTiO3(001): A density-functional theory study23A Chemical Approach to Understanding Oxide Surface Structure and Reactivity4A homologous series of structures on the surface3A homologous series of structures on the surface of SrTiO3(110)161Lithium insertion in nanostructured titanates0Role of valence state of dopant (Eu2+, Eu3+) and growth environment in luminescence and morphology of SrAl12O19 nano- and microcrystals31Surface modeling and chemical solution deposition of SrO(SrTiO3) Ruddlesden–Popper phases23Strontium oxide segregation at SrLaAlO4 surfaces16Density Functional Theory Study of Ag Adsorption on SrTiO 3 (001) Surface42A first-principles study of H2O adsorption and dissociation on the SrTiO3(100) surface27The Structure of Grain Boundaries in Strontium Titanate: Theory, Simulation, and Electron Microscopy52Nanoscale structural variation observed on the vicinal SrTiO3(001) surface13Atomically Resolved Surface Structure of SrTiO3(001) Thin Films Grown in Step-Flow Mode by Pulsed Laser Deposition17Real‐Space Observation of Surface Termination of a Complex Metal Oxide Catalyst49Real‐Space Observation of Surface Termination of a Complex Metal Oxide Catalyst27A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles31Modelling and simulation of reaction mechanisms in early growth of STO thin films from ab initio calculations6Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides56Anomale Oberflächenzusammensetzung stöchiometrischer Mischoxid‐Verbindungen6Anomalous Surface Compositions of Stoichiometric Mixed Oxide Compounds44Structural and electronic properties of PbTiO3/SrTiO3 superlattices from first principles17Intégration monolithique de matériaux III-V et de Ge sur Si en utilisant des buffers oxydes cristallins0Direct Subangstrom Measurement of Surfaces of Oxide Particles71Native SrTiO3 (001) surface layer from resonant Ti L2,3 reflectance spectroscopy22References0Single‐Crystal‐like Titania Mesocages106Single‐Crystal‐like Titania Mesocages21Atomic structures of the defective SrTiO3 (001) surface16Atomic-Scale Observation of Initial Growth Process of Homoepitaxial SrTiO3 Thin Films0Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory17Atomic and electronic surface structures of dopants in oxides: STM and XPS of Nb- and La-doped SrTiO 3 (001)110Universal Ti-rich termination of atomically flat SrTiO3 (001), (110), and (111) surfaces138Oriented Catalytic Platinum Nanoparticles on High Surface Area Strontium Titanate Nanocuboids121In situoptical characterization of metal-insulator transition in LaNiO3and SrTiO3perovskites in pulsed laser deposition chamber5Selective growth of perovskite oxides on SrTiO3 (001) by control of surface reconstructions23SrTiO3(100) − √5 × √5 − R26.6 surface observed by high-resolution scanning tunneling microscopy14Evolution of the surface structures on SrTiO 3 (110) tuned by Ti or Sr concentration62Vacant-Site Octahedral Tilings on SrTiO 3 (001), the ( 13 × 13 ) R 33.7 ° Surface, and Related Structures92Atomic Cu adsorption on defect-free SrTiO3(0 0 1) surface13The (2×2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study42Surface Stabilization Mechanisms in Metal Oxides1Surface and Defect Structure of Oxide Nanowires on SrTiO 336Germanium Adsorption and Initial Growth on SrTiO3(001) Surface: A First-Principles Investigation8Direct Evidence for the Instability and Deactivation of Mixed-Oxide Systems: Influence of Surface Segregation and Subsurface Diffusion14A chemical approach to understanding oxide surfaces44Atomic Imaging of Oxide-Supported Metallic Nanocrystals13Ab Initio Calculations of SrTiO3 (111) Surfaces3Ab InitioCalculations of the Atomic and Electronic Structure of SrZrO3(111) Surfaces6

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  1. Nanoscale analysis of a Co-SrTiO3 interface in a Magnetic tunnel junction

    MRS Proceedings · 2002-01-01

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  2. Understanding photoelectrochemical solar cells

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  3. Edge effects

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  4. A first example of polyoxotungstate-based giant molecule. Synthesis and molecular structure of a tetrapod-shaped Ti–O–Ti bridged anhydride form of Dawson tri-titanium( iv )-substituted polyoxotungstate

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  5. Nanocrystals: Solving Crystal Structures Using Electron Crystallography

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  6. Role of interface states associated with transitional nanophase precipitates in the photoluminescence enhancement of SrTiO 3 ∶Pr 3+ ,Al 3+

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  7. The surface science of titanium dioxide

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  8. SrTiO3() surface structures under oxidizing conditions

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  9. Evolution of classical/quantum methodologies: applications to oxide surfaces and interfaces

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  10. Nanostructures on La-doped SrTiO3 surfaces

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  11. Core level and valence band investigation of WO3 thin films with synchrotron radiation

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  12. Single-Crystal Growth of Magnesium Orthovanadate, Mg3(VO4)2, by the Optical Floating Zone Technique

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  13. Surface electronic properties of polycrystalline WO3 thin films: a study by core level and valence band photoemission

    Surface Science · 2003-05-27

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  14. Thin Pt films on the polar SrTiO3(111) surface: an experimental and theoretical study

    Surface Science · 2003-05-28

    Aravind Asthagiri, Christoph Niederberger, Andrew J. Francis, Lisa M. Porter, A. Salvador, David S. Sholl

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  15. Surface Structures of SrTiO 3 (001): A TiO 2 -rich Reconstruction with a c(4 × 2) Unit Cell

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  16. Electronic and structural properties of a 4d perovskite: Cubic phase of SrZrO3

    Physical review. B, Condensed matter · 2003-07-30

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  17. Tetrameric, Trititanium( IV )‐Substituted Polyoxotungstates with an α‐Dawson Substructure as Soluble Metal‐Oxide Analogues: Molecular Structure of the Giant “Tetrapod” [(α‐1,2,3‐P2W15Ti3O62)4{μ3‐Ti(OH)3}4Cl]45−

    Chemistry - A European Journal · 2003-08-28

    Yoshitaka Sakai, Kenji Yoza, Chika Nozaki Kato, Kenji Nomiya

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  18. Surface structure of SrTiO3(1 0 0)

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  19. Surface crystallography via electron microscopy

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  20. Gas Sensing with Nanocrystalline Magnetic Perovskite Oxides

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  21. High-resolution transmission electron microscopy: the ultimate nanoanalytical technique

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  22. Preparation of tabular TiO2–SrTiO3–δcomposite for photocatalytic electrode

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  23. REFERENCES

    Renewable Energy · 2004-01-01

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  24. Simulating the structure and reactivity of oxide surfaces from first principles

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    Simon P. Bates, Simon D. Elliott

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  25. Ab initiocalculations of the SrTiO3 (110) polar surface

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    E. Heifets, William A. Goddard, Eugene A. Kotomin, Roberts I. Eglitis, G. Börstel

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  26. Temperature dependence of the interfacial spin polarization of La2/3Sr1/3MnO3

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  27. Pt thin films on stepped SrTiO3 surfaces: SrTiO3(620) and SrTiO3(622)

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  28. Faster acquisition of structure-factor amplitudes in surface X-ray diffraction experiments

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    X. Torrelles, Jordi Rius

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  29. Gas Sensing with Perovskite-like Oxides Having ABO3 and BO3 Structures

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    V. Lantto, Sami Saukko, Nguyen Ngoc Toan, L.F. Reyes, Claes‐Göran Granqvist

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  30. Visible light-induced photobleaching of methylene blue aqueous solution using (Sr1−La )TiO3+–TiO2 composite powder

    Journal of Photochemistry and Photobiology A Chemistry · 2004-07-08

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  31. Growth of SrTiO3 thin films on BaxSr1−xTiO3 (x=0.3, 0.5) seed layers on Ni (200) substrates using spin coating technique

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  32. Sr Ti O 3 ( 001 ) ( 2 × 1 ) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

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  33. EDM 1.0: Electron direct methods

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  34. TiO2-rich reconstructions of SrTiO3(001): a theoretical study of structural patterns

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  35. In Situ XPS Studies of Perovskite Oxide Surfaces under Electrochemical Polarization

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  36. Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite

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  37. DFT study of Pt adsorption on low index SrTiO3 surfaces: SrTiO3(100), SrTiO3(111) and SrTiO3(110)

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  38. Initial stages of WO3 growth on silicon substrates

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  39. Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

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  40. Atomic structure of a long-range ordered vicinal surface of SrTiO3

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    X. Torrelles, Jörg Zegenhagen, Jordi Rius, Th. Gloege, Lin Cao, W. Moritz

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  41. Atomic Resolution Transmission Electron Microscopy of Surfaces

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  42. Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions

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  43. Ion-induced damage accumulation and electron-beam-enhanced recrystallization in SrTiO3

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    Yanwen Zhang, James A. Lian, C. M. Wang, Weilin Jiang, Rodney Charles Ewing, William J. Weber

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  44. Physics of thin-film ferroelectric oxides

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  45. Structure of vapour deposited adenine on a nanostructured perovskite surface studied by STM

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  46. First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of Sr Ti O 3

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  47. Bimodal Growth of Au on SrTiO3(001)

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  48. Near-Surface Structural Phase Transition of SrTiO3 Studied with Zero-Field β -Detected Nuclear Spin Relaxation and Resonance

    Physical Review Letters · 2006-04-11

    Z. Salman, R. F. Kiefl, K. H. Chow, M. D. Hossain, T. A. Keeler, Syd R. Kreitzman, C. D. P. Levy, R. I. Miller, T.J. Parolin, M. R. Pearson, H. Saadaoui, J. D. Schultz, M. Smadella, D. Wang, W. A. MacFarlane

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  49. Low Temperature Synthesis of TiO2 / SrTiO3 Films on Ti Substrate

    Materials science forum · 2006-04-15

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  50. Ordering of TiO2-Based Nanostructures on SrTiO3(001) Surfaces

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