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RESEARCH PAPER · Surface Science · 2004

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

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

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TiO2-rich reconstructions of SrTiO3(001): a theoretical study of structural patternsOriginalStructure 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 3167Ordering of TiO2-Based Nanostructures on SrTiO3(001) Surfaces63Oxide Surfaces in Practical and Model Catalytic Systems0Strontium titanate surfaces44Surface of Strontium Titanate126Structural Transformation of (110) Ultrathin Films of Tetragonal Zirconia Induced by Polarity6Atomic-scale structure of the SrTiO3(001)−c(6×2) reconstruction: Experiments and first-principles calculations62Surface structure of SrTiO3(001)61Scanning probe microscopy of oxide surfaces: atomic structure and properties80Evolution of the Structure and Thermodynamic Stability of the BaTiO 3 ( 001 ) Surface112Schottky barriers at transition-metal/ SrTiO 3 ( 001 ) interfaces86A Chemical Approach to Understanding Oxide Surface Structure and Reactivity4A systematic study of ideal and double layer reconstructions of ABO3(001) surfaces (A = Sr, Ba; B = Ti, Zr) from first principles31Intégration monolithique de matériaux III-V et de Ge sur Si en utilisant des buffers oxydes cristallins0The (2×2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study43Surface Stabilization Mechanisms in Metal Oxides1A chemical approach to understanding oxide surfaces44Atomic Imaging of Oxide-Supported Metallic Nanocrystals13Water adsorption on SrTiO3(001): I. Experimental and simulated STM38Water adsorption on SrTiO3(001): II. Water, water, everywhere47Ge/SrTiO 3 (001) interface probed by soft x-ray synchrotron-radiation time-resolved photoemission9BaTiO3(001)−(2×1) : Surface Structure and Spin Density17c(4 × 2) and related structural units on the SrTiO3(001) surface: Scanning tunneling microscopy, density functional theory, and atomic structure24Structure and composition of linear TiO x nanostructures on SrTiO 3 (001)19Surface electronic structure for various surface preparations of Nb-doped SrTiO3 (001)43Synthesis-Dependent Atomic Surface Structures of Oxide Nanoparticles59Influence of the Metal Oxide Substrate Structure on Vanadium Oxide Monomer Formation10Bonding at Oxide Surfaces4Structure and reactivity of zero-, two- and three-dimensional Pd supported on SrTiO3(001)5Interface of Pt with SrTiO3(001); A combined theoretical and experimental study10Defects on Strontium Titanate16Transition from Order to Configurational Disorder for Surface Reconstructions on SrTiO3 (111)42Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions19Nanoparticle shape, thermodynamics and kinetics306Role of double TiO2 layers at the interface of FeSe/ SrTiO3 superconductors48When does atomic resolution plan view imaging of surfaces work?4Substrate and band bending effects on monolayer FeSe on SrTiO 3 (001)10Atomically flat single terminated oxide substrate surfaces110Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences20Structural characterisation of high-mobility Cd3As2 films crystallised on SrTiO323Single-layer TiOx reconstructions on SrTiO3 (111): (√7 × √7)R19.1°, (√13 × √13)R13.9°, and related structures13Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions19Pauling's rules for oxide surfaces44Superconductivity of single unit cell FeSe/SrTiO3 (001): Substrate-surface superstructure dependence10Ba-addition induced enhanced surface reducibility of SrTiO 3 : implications on catalytic aspects9Light induced non-volatile switching of superconductivity in single layer FeSe on SrTiO3 substrate26Phase separation and surface segregation in Co–Au–SrTiO3 thin films: Self-assembly of bilayered epitaxial nanocolumnar composites9How heteroepitaxy occurs on strontium titanate25Influence of surface restructuring on the activity of SrTiO3 photoelectrodes for photocatalytic hydrogen reduction6Shapes of epitaxial gold nanocrystals on SrTiO 3 substrates15Surfaces of Bulk Oxides2Nature of SrTiO3/TiO2 (anatase) heterostructure from hybrid density functional theory calculations36The mechanism of grain growth at general grain boundaries in SrTiO327Sensitive RHEED signature of Ti-excess enabling enhanced cationic composition control during the molecular beam epitaxy of SrTiO 3 based solid solutions2The role of surfaces in flexoelectricity20Structural characterisation of high-mobility Cd3As2 films crystallised on SrTiO3.22Surface structure characterization of a (√5 × √5)-R26.6° reconstruction of strontium titanate (001) by X-ray photoelectron diffraction9Shape, thermodynamics and kinetics of nanoparticles5Transition volumes from multiply twinned particles to single crystals of supported Ag and Au nanoparticles2Facet-dependent thermal stability of SrTiO 3 surfaces driven by defects, adsorbates, and reconstructions0A -site adatoms stabilize A B O 3 ( 001 ) surface reconstructions0

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  1. 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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  2. 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

    Physical Review B · 2006-02-10

    Javier Carrasco, Francesc Illas, Núria López, Eugene A. Kotomin, Yuri F. Zhukovskii, R. A. Évarestov, Yuri A. Mastrikov, Sergei Piskunov, Joachim Maier

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

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

    David S. Deak, Fabien Silly, David T. Newell, Martin R. Castell

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  4. Oxide Surfaces in Practical and Model Catalytic Systems

    Unknown journal · 2007-01-01

    Courtney H. Lanier

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  5. Strontium titanate surfaces

    Materials Science and Technology · 2007-02-01

    David S. Deak

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  6. Surface of Strontium Titanate

    Physical Review Letters · 2007-02-15

    R. Herger, Philip R. Willmott, Oliver Bunk, Christian Matthias Schlepütz, Bruce D. Patterson, B. Delley

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  7. Structural Transformation of (110) Ultrathin Films of Tetragonal Zirconia Induced by Polarity

    The Journal of Physical Chemistry C · 2007-05-23

    Rafael Añez, Aníbal Sierraalta, Philippe Sautet

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

    Physical Review B · 2007-07-23

    Courtney H. Lanier, Axel van de Walle, Natasha Erdman, Eric Landree, Oliver Warschkow, A. Kazimirov, Kenneth Reinhard Poeppelmeier, Jörg Zegenhagen, Mark Asta, Laurence D. Marks

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  9. Surface structure of SrTiO3(001)

    Physical Review B · 2007-11-21

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

    Reports on Progress in Physics · 2008-03-07

    Dawn A. Bonnell, John Garra

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  11. Evolution of the Structure and Thermodynamic Stability of the BaTiO 3 ( 001 ) Surface

    Physical Review Letters · 2008-07-16

    Alexie M. Kolpak, Dongbo Li, Rui Shao, Andrew M. Rappe, Dawn A. Bonnell

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  12. Schottky barriers at transition-metal/ SrTiO 3 ( 001 ) interfaces

    Physical Review B · 2009-06-18

    Matous Mrovec, Jan-Michael Albina, Bernd Meyer, Christian Elsässer

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

    Unknown journal · 2010-01-01

    James A. Enterkin

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

    Journal of Physics Condensed Matter · 2010-07-02

    Nadia Iles, Fabio Finocchi, Kouider Driss-Khodja

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  15. Intégration monolithique de matériaux III-V et de Ge sur Si en utilisant des buffers oxydes cristallins

    Unknown journal · 2010-10-21

    Jun Cheng

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

    Surface Science · 2011-06-23

    Yuyuan Lin, Andres E. Becerra-Toledo, Fabien Silly, Kenneth Reinhard Poeppelmeier, Martin R. Castell, Laurence D. Marks

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  17. Surface Stabilization Mechanisms in Metal Oxides

    Unknown journal · 2011-07-01

    Becerra Toledo, Andres Enrique

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  18. 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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  19. Atomic Imaging of Oxide-Supported Metallic Nanocrystals

    ACS Nano · 2011-10-28

    Zhenxing Feng, A. Kazimirov, Michael J. Bedzyk

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

    Surface Science · 2012-01-17

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

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  22. Ge/SrTiO 3 (001) interface probed by soft x-ray synchrotron-radiation time-resolved photoemission

    Physical Review B · 2012-02-22

    Mario El Kazzi, B. Gobaut, José Peñuelas, G. Grenet, Mathieu G. Silly, Fausto Sirotti, Guillaume Saint‐Girons

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  23. BaTiO3(001)−(2×1) : Surface Structure and Spin Density

    Physical Review Letters · 2012-05-25

    Holger L. Meyerheim, A. Ernst, K. Mohseni, Igor V. Maznichenko, S. Ostanin, F. Klimenta, N. Jedrecy, Wencong Feng, Ingrid Mertig, Roberto Felici, J. Kirschner

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  24. 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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  25. 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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  26. Surface electronic structure for various surface preparations of Nb-doped SrTiO3 (001)

    Journal of Applied Physics · 2013-09-13

    Richard C. Hatch, Kurt Fredrickson, Miri Choi, Chungwei Lin, Hosung Seo, Agham B. Posadas, Alexander A. Demkov

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  27. Synthesis-Dependent Atomic Surface Structures of Oxide Nanoparticles

    Physical Review Letters · 2013-10-08

    Yuyuan Lin, Jianguo Wen, Linhua Hu, Robert M. Kennedy, Peter Curran Stair, Kenneth Reinhard Poeppelmeier, Laurence D. Marks

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  28. Influence of the Metal Oxide Substrate Structure on Vanadium Oxide Monomer Formation

    Topics in Catalysis · 2013-10-16

    Alexis M. Johnson, Brian R. Quezada, Laurence D. Marks, Peter Curran Stair

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  29. Bonding at Oxide Surfaces

    Structure and bonding · 2014-01-01

    James A. Enterkin, Kenneth Reinhard Poeppelmeier

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  30. Structure and reactivity of zero-, two- and three-dimensional Pd supported on SrTiO3(001)

    Surface Science · 2014-07-01

    S.E. Stoltz, Donald E. Ellis, Michael J. Bedzyk

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  31. Interface of Pt with SrTiO3(001); A combined theoretical and experimental study

    Surface Science · 2014-11-17

    S.E. Stoltz, Donald E. Ellis, Michael J. Bedzyk

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  32. Defects on Strontium Titanate

    Springer series in surface sciences · 2015-01-01

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

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  33. Transition from Order to Configurational Disorder for Surface Reconstructions on SrTiO3 (111)

    Physical Review Letters · 2015-06-02

    L. D. Marks, Ann N. Chiaramonti, Shams Rahman, Martin R. Castell

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  34. Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions

    Physical Review B · 2015-12-17

    Seungchul Kim, Ofer Sinai, Chan‐Woo Lee, Andrew M. Rappe

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  35. Nanoparticle shape, thermodynamics and kinetics

    Journal of Physics Condensed Matter · 2016-01-20

    Laurence D. Marks, L Peng

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  36. Role of double TiO2 layers at the interface of FeSe/ SrTiO3 superconductors

    Physical review. B./Physical review. B · 2016-05-16

    Ke Zou, Subhasish Mandal, Stephen D. Albright, Rui Peng, Yujia Pu, Divine P. Kumah, Claudia Lau, Georg Hermann Simon, Omur E. Dagdeviren, Xi He, I. Božović, Udo D. Schwarz, Eric I. Altman, Donglai Feng, F. J. Walker, Sohrab Ismail‐Beigi, Charles Ahn

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  37. When does atomic resolution plan view imaging of surfaces work?

    Ultramicroscopy · 2016-08-06

    Pratik Koirala, Yuyuan Lin, Jim Ciston, Laurence D. Marks

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  38. Substrate and band bending effects on monolayer FeSe on SrTiO 3 (001)

    Physical Chemistry Chemical Physics · 2017-01-01

    Meiling Xu, Xianqi Song, Hui Wang

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  39. Atomically flat single terminated oxide substrate surfaces

    Progress in Surface Science · 2017-05-01

    Abhijit Biswas, Chan-Ho Yang, Ramamoorthy Ramesh, Yoon H. Jeong

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  40. Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences

    CORROSION · 2017-10-22

    Laurence D. Marks

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  41. Structural characterisation of high-mobility Cd3As2 films crystallised on SrTiO3

    Scientific Reports · 2018-01-29

    Yusuke Nakazawa, Masaki Uchida, Shinichi Nishihaya, M. Kriener, Yusuke Kozuka, Yasujiro Taguchi, Masashi Kawasaki

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  42. Single-layer TiOx reconstructions on SrTiO3 (111): (√7 × √7)R19.1°, (√13 × √13)R13.9°, and related structures

    Surface Science · 2018-04-24

    Tassie K. Andersen, Shuqiu Wang, Martin R. Castell, Dillon D. Fong, Laurence D. Marks

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  43. Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions

    The Journal of Physical Chemistry C · 2018-09-04

    Seyoung Cook, Laurence D. Marks

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  44. Pauling's rules for oxide surfaces

    Surface Science Reports · 2018-09-11

    Tassie K. Andersen, Dillon D. Fong, Laurence D. Marks

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  45. Superconductivity of single unit cell FeSe/SrTiO3 (001): Substrate-surface superstructure dependence

    Physical review. B./Physical review. B · 2018-09-24

    Tomoaki Tanaka, Kenta Akiyama, Ryo Yoshino, Toru Hirahara

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  46. Ba-addition induced enhanced surface reducibility of SrTiO 3 : implications on catalytic aspects

    Nanoscale Advances · 2019-01-01

    Noopur Jain, Ahin Roy, Angana De

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  47. Light induced non-volatile switching of superconductivity in single layer FeSe on SrTiO3 substrate

    Nature Communications · 2019-01-02

    Ming Yang, Chenhui Yan, Yanjun Ma, Lian Li, Cheng Cen

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  48. Phase separation and surface segregation in Co–Au–SrTiO3 thin films: Self-assembly of bilayered epitaxial nanocolumnar composites

    Physical Review Materials · 2019-03-18

    Marcel Martin Hennes, Xiaorong Weng, Emiliano Fonda, Bruno Gallas, Gilles Patriarche, D. Demaille, Yunlin Jacques Zheng, Franck Vidal

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  49. How heteroepitaxy occurs on strontium titanate

    Science Advances · 2019-04-05

    Seyoung Cook, Kendra Letchworth‐Weaver, I‐Cheng Tung, Tassie K. Andersen, Hawoong Hong, Laurence D. Marks, Dillon D. Fong

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  50. Influence of surface restructuring on the activity of SrTiO3 photoelectrodes for photocatalytic hydrogen reduction

    Physical Review Materials · 2019-06-17

    Yihuang Xiong, Ismaila Dabo

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