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RESEARCH PAPER · Journal of the American Chemical Society · 2003

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

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

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Surface Structures of SrTiO 3 (001): A TiO 2 -rich Reconstruction with a c(4 × 2) Unit CellOriginalTiO2-rich reconstructions of SrTiO3(001): a theoretical study of structural patterns62Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions25Atomic Resolution Transmission Electron Microscopy of Surfaces14Structure of vapour deposited adenine on a nanostructured perovskite surface studied by STM7Ordering of TiO2-Based Nanostructures on SrTiO3(001) Surfaces63Template Ordered Open-Grid Arrays of Paired Endohedral Fullerenes43C70 ordering on nanostructured SrTiO3(001)11Controlled surface ordering of endohedral fullerenes with a SrTiO3template36Strontium titanate surfaces44Electronic structure and thermodynamic stability of double-layered SrTiO3(001) surfaces:Ab initiosimulations111(13×13)R13.9° and (7×7)R19.1° reconstructions of the polar SrTiO3(111) surface39Atomic-scale structure of the SrTiO3(001)−c(6×2) reconstruction: Experiments and first-principles calculations62Interaction of nanostructured metal overlayers with oxide surfaces799Surface structure of SrTiO3(001)61Scanning probe microscopy of oxide surfaces: atomic structure and properties80Surface of Sputtered and Annealed Polar SrTiO3(111): TiOx-Rich (n × n) Reconstructions56Reconstructions on the polar SrTiO3 (110) surface: Analysis using STM, LEED, and AES58Atypical grain growth for (211) CdTe films deposited on surface reconstructed (100) SrTiO3 substrates16Growth of high-quality SrTiO3 films using a hybrid molecular beam epitaxy approach180Surface structure of strontium titanate37A Chemical Approach to Understanding Oxide Surface Structure and Reactivity4A standard format for reporting atomic positions in measured or calculated surface structures: The CIF file6Strontium oxide segregation at SrLaAlO4 surfaces16Density Functional Theory Study of Ag Adsorption on SrTiO 3 (001) Surface42A 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 calculations6Atomic structures of the defective SrTiO3 (001) surface16Atomic and electronic surface structures of dopants in oxides: STM and XPS of Nb- and La-doped SrTiO 3 (001)109Oriented Catalytic Platinum Nanoparticles on High Surface Area Strontium Titanate Nanocuboids121Thermodynamic stability and growth kinetics of epitaxial SrTiO 3 on silicon24Evolution 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 Structures93Atomic 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 study43Surface and Defect Structure of Oxide Nanowires on SrTiO 336Liquid-phase degradation of polyethylene (PE) over MFI zeolites with mesopores: Effects of the structure of PE and the characteristics of mesopores36Direct Evidence for the Instability and Deactivation of Mixed-Oxide Systems: Influence of Surface Segregation and Subsurface Diffusion14A chemical approach to understanding oxide surfaces44Surface transmission electron diffraction for SrTiO3 surfaces22Atomic Pt and molecular H2O adsorptions on SrTiO3 with and without Nb-doping: Electron trapping center and mediating roles of Pt in charge transfer from semiconductor to water9Water adsorption on SrTiO3(001): I. Experimental and simulated STM38Water adsorption on SrTiO3(001): II. Water, water, everywhere47Atomic Resolution Coordination Mapping in Ca2FeCoO5 Brownmillerite by Spatially Resolved Electron Energy-Loss Spectroscopy40In-situ imaging of the nucleation and growth of epitaxial anatase TiO2(001) films on SrTiO3(001)28c(4 × 2) and related structural units on the SrTiO3(001) surface: Scanning tunneling microscopy, density functional theory, and atomic structure24Effect of oxygen deficiency on SrTiO3(001) surface reconstructions46Structure and composition of linear TiO x nanostructures on SrTiO 3 (001)19Bonding and structure of a reconstructed (001) surface of SrTiO3 from TEM111Molecular beam epitaxy of complex oxides12Site-specific mapping of transition metal oxygen coordination in complex oxides17Controlled growth of Ni nanocrystals on SrTiO3 and their application in the catalytic synthesis of carbon nanotubes17Reconstructions on SrTiO3(111) surface tuned by Ti/Sr deposition30Initial growth stages of titanium and barium oxide films on SrTiO3(001)11Synthesis-Dependent Atomic Surface Structures of Oxide Nanoparticles59Influence of the Metal Oxide Substrate Structure on Vanadium Oxide Monomer Formation10Stoichiometry-driven switching between surface reconstructions on SrTiO3(001)48A “Thickness Series”: Weak Signal Extraction of ELNES in EELS Spectra From Surfaces5Bonding at Oxide Surfaces4A Quantitative Structural Investigation of the 0.1 wt % Nb–SrTiO3(001)/H2O Interface14Electron-induced Ti-rich surface segregation on SrTiO3 nanoparticles15Structure and reactivity of zero-, two- and three-dimensional Pd supported on SrTiO3(001)5Surface reconstructions in molecular beam epitaxy of SrTiO347Applications of Electron Microscopy in Heterogeneous Catalysis1Defects on Strontium Titanate16Synergistic Oxygen Evolving Activity of a TiO 2 -Rich Reconstructed SrTiO 3 (001) Surface69The effect of oxygen vacancies on the electronic structures, magnetic properties and the stability of SrTiO3(001) surface9Transition from Order to Configurational Disorder for Surface Reconstructions on SrTiO3 (111)42Surface determination through atomically resolved secondary-electron imaging56Ferroelectric-Based Catalysis: Switchable Surface Chemistry191NOx Adsorption on ATiO3(001) Perovskite Surfaces11Nanostructuring perovskite oxides: the impact of SrTiO 3 nanocube 3D self-assembly on thermal conductivity18Nanoparticle shape, thermodynamics and kinetics306When does atomic resolution plan view imaging of surfaces work?4Characterization of Nd2−xCexCuO4±δ (x = 0 and 0.15) Ultrathin Films Grown by DC Sputtering Technique10Nanoscale self-templating for oxide epitaxy with large symmetry mismatch21Atomically flat single terminated oxide substrate surfaces110Acid–Base Reactivity of Perovskite Catalysts Probed via Conversion of 2-Propanol over Titanates and Zirconates97Observation of a two-dimensional electron gas at CaTiO3 film surfaces27Nd2-XCeXCuO4±delta/Nd2CuO4 Ultra-Thin Films Grown by DC Sputtering Technique0Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts58Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts24Growth and electronic properties of nanolines on TiO2-terminated SrTiO3(001) surfaces1Shape Effect Undermined by Surface Reconstruction: Ethanol Dehydrogenation over Shape-Controlled SrTiO3 Nanocrystals71All Roads Lead to TiO2: TiO2-Rich Surfaces of Barium and Strontium Titanate Prepared by Hydrothermal Synthesis36Combined pulsed laser deposition and non-contact atomic force microscopy system for studies of insulator metal oxide thin films12Single-layer TiOx reconstructions on SrTiO3 (111): (√7 × √7)R19.1°, (√13 × √13)R13.9°, and related structures13Direct Observation of Large Flexoelectric Bending at the Nanoscale in Lanthanide Scandates34Oxygen Vacancy Defect Migration in Titanate Perovskite Surfaces: Effect of the A-Site Cations49Origin of H2 Formation on Perfect SrTiO3 (001) Surface: A First-principles Study1Nd2- x Ce x CuO4±δ Ultrathin Films Crystalline Properties4Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions19Pauling's rules for oxide surfaces44Understanding the Impact of Surface Reconstruction of Perovskite Catalysts on CH4 Activation and Combustion70Epitaxial Growth of Monolayer MoS2 on SrTiO3 Single Crystal Substrates for Applications in Nanoelectronics50Charging ain't all bad: Complex physics in DyScO35Thermal Degradation of Monolayer MoS2 on SrTiO3 Supports29Combined theoretical and experimental characterizations of semiconductors for photoelectrocatalytic applications54Stable Adsorption of Single Gold Atoms on the SrTiO3(111)-(9 × 9) Reconstructed Surface3How heteroepitaxy occurs on strontium titanate25Influence of surface restructuring on the activity of SrTiO3 photoelectrodes for photocatalytic hydrogen reduction6Surface Reconstructions of SrTiO3(110) Calibrated with STM and LEED3Intrinsic interfacial van der Waals monolayers and their effect on the high-temperature superconductor FeSe/SrTiO318Upcycling Single-Use Polyethylene into High-Quality Liquid Products569Surfaces of Bulk Oxides2Picoscale structural insight into superconductivity of monolayer FeSe/SrTiO 338Surface reconstruction and band alignment of nonmetallic A(II)B(IV)O3 perovskites14Understanding the interplay of surface structure and work function in oxides: A case study on SrTiO354Why Do We Use the Materials and Operating Conditions We Use for Heterogeneous (Photo)Electrochemical Water Splitting?151First-Principles Mechanistic Study of the Initial Growth of SrO by Atomic Layer Deposition on TiO2-Terminated SrTiO3 (001)7Two-dimensional CoSe structures: Intrinsic magnetism, strain-tunable anisotropic valleys, magnetic Weyl point, and antiferromagnetic metal state17Nature of the surface space charge layer on undoped SrTiO 3 (001)19Sensitive RHEED signature of Ti-excess enabling enhanced cationic composition control during the molecular beam epitaxy of SrTiO 3 based solid solutions2Stabilization of Size-Controlled BaTiO3 Nanocubes via Precise Solvothermal Crystal Growth and Their Anomalous Surface Compositional Reconstruction22Thickness-Dependent Band Gap Modification in BaBiO311Quest for a pristine unreconstructed SrTiO3(001) surface: An atomically resolved study via noncontact atomic force microscopy29The role of surfaces in flexoelectricity20Strain effect on oxygen evolution reaction of the SrTiO3 (0 0 1) surface6Surface structure characterization of a (√5 × √5)-R26.6° reconstruction of strontium titanate (001) by X-ray photoelectron diffraction9Optimizing TiO2 through Water-Soluble Ti Complexes as Raw Material for Controlling Particle Size and Distribution of Synthesized BaTiO3 Nanocubes13Origin of the 2D Electron Gas at the SrTiO 3 Surface26Engineering the stoichiometry of a TiO2-rich SrTiO3(001) surface2Shape, thermodynamics and kinetics of nanoparticles5Ab Initio Computations of O and AO as well as ReO2, WO2 and BO2-Terminated ReO3, WO3, BaTiO3, SrTiO3 and BaZrO3 (001) Surfaces46Molecular beam epitaxy of antiperovskite oxides6Production of Bio-Oil from De-Oiled Karanja (Pongamia pinnata L.) Seed Press Cake via Pyrolysis: Kinetics and Evaluation of Anthill as the Catalyst24The interface of in-situ grown single-layer epitaxial MoS2 on SrTiO3(001) and (111)4Work Function: Fundamentals, Measurement, Calculation, Engineering, and Applications209Review of First Principles Simulations of STO/BTO, STO/PTO, and SZO/PZO (001) Heterostructures28Treasuring trash: Pt/SrTiO3 catalysts process plastic waste into high-value materials25Environmentally Stable p(6 × 2) SrTiO3(001) Surface Reconstruction with Low-Valent Ti for Photocatalytic Water Splitting4Synthesis of BaTiO3–CaTiO3 and BaTiO3–SrTiO3 Core–Shell Nanocubes via the Surface Reconstruction of BaTiO3 Nanocubes4Fano-type discrete-continuum interaction in perovskites and its manifestation in Raman spectral line shapes4Growth of Single Crystalline 2D Materials beyond Graphene on Non‐metallic Substrates10Study of CO2 Adsorption Properties on the SrTiO3(001) Surface with Ambient Pressure XPS18Temperature-Induced Lattice Defects and Surface Reconstruction in BaTiO3 Nanocubes1Instability of A B O 3 perovskite surfaces induced by vacancy formation ( A = Ca , Sr , Ba ; B = Ti , Zr , Sn )4Surface Reconstruction Promotes CO2 Activation on the SrTiO3(001) Surface: Insight from Quantum Dynamics10Perovskite nanostructures as effective bifunctional acid-base heterogenous catalysts for biodiesel production: A comprehensive review7Facet-dependent thermal stability of SrTiO 3 surfaces driven by defects, adsorbates, and reconstructions0B3LYP and B3PW Simulations of ABO3 Perovskite (001) Surfaces, Interfaces, and Oxygen Vacancies Therein16Strategic Chemical Vapor Deposition of Two‐Dimensional Bismuth Oxyselenide1A -site adatoms stabilize A B O 3 ( 001 ) surface reconstructions0Atomistic modeling of molecular beam epitaxy growth of SrTiO 3 and Sr 2 TiO 4 thin films0

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

    Surface Science · 2004-12-01

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

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

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  3. Atomic Resolution Transmission Electron Microscopy of Surfaces

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

    Faraday Discussions · 2006-01-01

    Donald G. Fraser, David S. Deak, Shasha Liu, Martin R. Castell

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

    The Journal of Physical Chemistry B · 2006-04-19

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  6. Template Ordered Open-Grid Arrays of Paired Endohedral Fullerenes

    Journal of the American Chemical Society · 2006-10-12

    David S. Deak, Fabien Silly, Kyriakos Porfyrakis, Martin R. Castell

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  7. C70 ordering on nanostructured SrTiO3(001)

    Chemical Communications · 2007-01-01

    David S. Deak, Kyriakos Porfyrakis, Martin R. Castell

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  8. Controlled surface ordering of endohedral fullerenes with a SrTiO3template

    Nanotechnology · 2007-01-18

    David S. Deak, Fabien Silly, Kyriakos Porfyrakis, Martin R. Castell

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  9. Strontium titanate surfaces

    Materials Science and Technology · 2007-02-01

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  10. Electronic structure and thermodynamic stability of double-layered SrTiO3(001) surfaces:Ab initiosimulations

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    E. Heifets, Sergei Piskunov, Eugene A. Kotomin, Yuri F. Zhukovskii, Donald E. Ellis

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  11. (13×13)R13.9° and (7×7)R19.1° reconstructions of the polar SrTiO3(111) surface

    Physical Review B · 2007-04-27

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  12. Atomic-scale structure of the SrTiO3(001)−c(6×2) reconstruction: Experiments and first-principles calculations

    Physical Review B · 2007-07-23

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  13. Interaction of nanostructured metal overlayers with oxide surfaces

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  14. Surface structure of SrTiO3(001)

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    R. Herger, Philip R. Willmott, Oliver Bunk, Christian Matthias Schlepütz, Bruce D. Patterson, B. Delley, V. L. Shneerson, Paul F. Lyman, D. K. Saldin

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  15. Scanning probe microscopy of oxide surfaces: atomic structure and properties

    Reports on Progress in Physics · 2008-03-07

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  16. Surface of Sputtered and Annealed Polar SrTiO3(111): TiOx-Rich (n × n) Reconstructions

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  17. Reconstructions on the polar SrTiO3 (110) surface: Analysis using STM, LEED, and AES

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  18. Atypical grain growth for (211) CdTe films deposited on surface reconstructed (100) SrTiO3 substrates

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    Svetlana Neretina, Robert A. Hughes, Gabriel A. Devenyi, Nikolai V. Sochinskii, J. S. Prestón, Peter Mascher

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  19. Growth of high-quality SrTiO3 films using a hybrid molecular beam epitaxy approach

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  20. Surface structure of strontium titanate

    Journal of Applied Physics · 2009-04-15

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  21. A Chemical Approach to Understanding Oxide Surface Structure and Reactivity

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  22. A standard format for reporting atomic positions in measured or calculated surface structures: The CIF file

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  23. Strontium oxide segregation at SrLaAlO4 surfaces

    Surface Science · 2010-05-20

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  24. Density Functional Theory Study of Ag Adsorption on SrTiO 3 (001) Surface

    The Journal of Physical Chemistry C · 2010-05-27

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  25. A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles

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  26. Modelling and simulation of reaction mechanisms in early growth of STO thin films from ab initio calculations

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  27. Atomic structures of the defective SrTiO3 (001) surface

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  28. Atomic and electronic surface structures of dopants in oxides: STM and XPS of Nb- and La-doped SrTiO 3 (001)

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  29. Oriented Catalytic Platinum Nanoparticles on High Surface Area Strontium Titanate Nanocuboids

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  30. Thermodynamic stability and growth kinetics of epitaxial SrTiO 3 on silicon

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    Alexie M. Kolpak, Sohrab Ismail‐Beigi

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  31. Evolution of the surface structures on SrTiO 3 (110) tuned by Ti or Sr concentration

    Physical Review B · 2011-04-28

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  32. Vacant-Site Octahedral Tilings on SrTiO 3 (001), the ( 13 × 13 ) R 33.7 ° Surface, and Related Structures

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  33. Atomic Cu adsorption on defect-free SrTiO3(0 0 1) surface

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  34. The (2×2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study

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  35. Surface and Defect Structure of Oxide Nanowires on SrTiO 3

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  36. Liquid-phase degradation of polyethylene (PE) over MFI zeolites with mesopores: Effects of the structure of PE and the characteristics of mesopores

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  37. Direct Evidence for the Instability and Deactivation of Mixed-Oxide Systems: Influence of Surface Segregation and Subsurface Diffusion

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  38. A chemical approach to understanding oxide surfaces

    Surface Science · 2011-10-28

    James A. Enterkin, Andres E. Becerra-Toledo, Kenneth Reinhard Poeppelmeier, Laurence D. Marks

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  39. Surface transmission electron diffraction for SrTiO3 surfaces

    CrystEngComm · 2012-01-01

    Danielle M. Kienzle, Laurence D. Marks

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  40. Atomic Pt and molecular H2O adsorptions on SrTiO3 with and without Nb-doping: Electron trapping center and mediating roles of Pt in charge transfer from semiconductor to water

    Journal of Solid State Chemistry · 2012-01-04

    Wei Wei, Ying Dai, Meng Guo, Yandong Ma, Baibiao Huang

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  41. Water adsorption on SrTiO3(001): I. Experimental and simulated STM

    Surface Science · 2012-01-17

    Andres E. Becerra-Toledo, Martin R. Castell, Laurence D. Marks

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  42. Water adsorption on SrTiO3(001): II. Water, water, everywhere

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    Andres E. Becerra-Toledo, James A. Enterkin, Danielle M. Kienzle, L.D. Marks

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  43. Atomic Resolution Coordination Mapping in Ca2FeCoO5 Brownmillerite by Spatially Resolved Electron Energy-Loss Spectroscopy

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  44. In-situ imaging of the nucleation and growth of epitaxial anatase TiO2(001) films on SrTiO3(001)

    Surface Science · 2012-05-23

    Yingge Du, Dong Jun Kim, T. C. Kaspar, Sara E. Chamberlin, Igor Lyubinetsky, S. A. Chambers

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  45. c(4 × 2) and related structural units on the SrTiO3(001) surface: Scanning tunneling microscopy, density functional theory, and atomic structure

    The Journal of Chemical Physics · 2012-06-04

    Andres E. Becerra-Toledo, Matthew S. J. Marshall, Martin R. Castell, L. D. Marks

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  46. Effect of oxygen deficiency on SrTiO3(001) surface reconstructions

    Applied Physics Letters · 2012-06-25

    Ryota Shimizu, Katsuya Iwaya, Takeo Ohsawa, Susumu Shiraki, Tetsuya Hasegawa, Tomihiro Hashizume, Taro Hitosugi

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  47. Structure and composition of linear TiO x nanostructures on SrTiO 3 (001)

    Physical Review B · 2012-09-10

    Matthew S. J. Marshall, Andres E. Becerra-Toledo, David J. Payne, R.G. Egdell, Laurence D. Marks, Martin R. Castell

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  48. Bonding and structure of a reconstructed (001) surface of SrTiO3 from TEM

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    Guo‐zhen Zhu, Guillaume Radtke, Gianluigi A. Botton

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  49. Molecular beam epitaxy of complex oxides

    Elsevier eBooks · 2012-11-05

    Roman Engel‐Herbert

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  50. Site-specific mapping of transition metal oxygen coordination in complex oxides

    Applied Physics Letters · 2012-12-10

    Stuart Turner, Ricardo Egoavil, Maria Batuk, Artem M. Abakumov, Joke Hadermann, Johan Verbeeck, Gustaaf Van Tendeloo

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