Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide
暂无分享,去创建一个
Stefan Gerhold | Bilge Yildiz | Markus Kubicek | Ulrike Diebold | Herbert Hutter | Cesare Franchini | Michele Riva | Michael Schmid | S. Gerhold | U. Diebold | B. Yildiz | C. Franchini | Juergen Fleig | H. Hutter | M. Kubicek | M. Schmid | Juergen Fleig | M. Riva | Xianfeng Hao | Giada Franceschi | Giada Franceschi | X. Hao
[1] Y. Shibuta,et al. Role of oxygen vacancy in dissociation of oxygen molecule on SOFC cathode: Ab initio molecular dynamics simulation , 2016 .
[2] J. Maier,et al. Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells. , 2013, Physical chemistry chemical physics : PCCP.
[3] Nemanja Danilovic,et al. Functional links between stability and reactivity of strontium ruthenate single crystals during oxygen evolution , 2014, Nature Communications.
[4] H. Habermeier,et al. The geometry dependence of the polarization resistance of Sr-doped LaMnO3 microelectrodes on yttria-stabilized zirconia , 2002 .
[5] J. Bassat,et al. Influence of Crystal Orientation and Annealing on the Oxygen Diffusion and Surface Exchange of La2NiO4+δ , 2016 .
[6] Yan Chen,et al. Segregated Chemistry and Structure on (001) and (100) Surfaces of (La1–xSrx)2CoO4 Override the Crystal Anisotropy in Oxygen Exchange Kinetics , 2015 .
[7] Zhenghong Lu,et al. Pitfalls in measuring work function using photoelectron spectroscopy , 2010 .
[8] Yan Chen,et al. Electronic Activation of Cathode Superlattices at Elevated Temperatures – Source of Markedly Accelerated Oxygen Reduction Kinetics , 2013 .
[9] Bilge Yildiz,et al. Cation size mismatch and charge interactions drive dopant segregation at the surfaces of manganite perovskites. , 2013, Journal of the American Chemical Society.
[10] N. Erdman,et al. The structure and chemistry of the TiO2-rich surface of SrTiO3 (001) , 2002, Nature.
[11] B. R. Chakraborty,et al. Quantitative reconstruction of Ta/Si multilayer depth profiles obtained by Time-of-Flight-Secondary-Ion-Mass-Spectrometry (ToF-SIMS) using Cs+ ion sputtering , 2015 .
[12] S. Gerhold,et al. Adjusting island density and morphology of the SrTiO3(110)-(4 × 1) surface: Pulsed laser deposition combined with scanning tunneling microscopy , 2016 .
[13] I. Tanaka,et al. First principles phonon calculations in materials science , 2015, 1506.08498.
[14] J. Nørskov,et al. Oxygen vacancies as active sites for water dissociation on rutile TiO(2)(110). , 2001, Physical review letters.
[15] W. Jian,et al. Depth resolution in sputter profiling revisited , 2016 .
[16] G. Henkelman,et al. A climbing image nudged elastic band method for finding saddle points and minimum energy paths , 2000 .
[17] B. Yildiz,et al. Voltage-Controlled Topotactic Phase Transition in Thin-Film SrCoOx Monitored by In Situ X-ray Diffraction. , 2016, Nano letters.
[18] Lu Yan,et al. Effects of crystallographic orientation on the oxygen exchange rate of La0.7Sr0.3MnO3 thin films , 2011 .
[19] B. Yildiz,et al. Tensile Lattice Strain Accelerates Oxygen Surface Exchange and Diffusion in La1–xSrxCoO3−δ Thin Films , 2013, ACS nano.
[20] S. Nosé. A unified formulation of the constant temperature molecular dynamics methods , 1984 .
[21] Ulrike Diebold,et al. Steps on anatase TiO2(101) , 2006, Nature materials.
[22] R. J. Green,et al. Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate , 2016, Nano letters.
[23] S. Jensen,et al. Eliminating degradation in solid oxide electrochemical cells by reversible operation. , 2015, Nature Materials.
[24] Stability and electronic structure of the(1×1)SrTiO3(110)polar surfaces by first-principles calculations , 2003, cond-mat/0304229.
[25] Hiroshi Onishi,et al. Direct visualization of defect-mediated dissociation of water on TiO2(110) , 2006 .
[26] E. Wachsman,et al. Role of nanostructures on SOFC performance at reduced temperatures , 2014 .
[27] D. Ellis,et al. Electronic structure and thermodynamic stability of double-layered SrTiO 3 „ 001 ... surfaces : Ab initio simulations , 2007 .
[28] U. Diebold,et al. Observation and destruction of an elusive adsorbate with STM: O₂/TiO₂(110). , 2010, Physical review letters.
[29] J. Maier,et al. Oxygen incorporation into Fe-doped SrTiO3: Mechanistic interpretation of the surface reaction , 2002 .
[30] Zongping Shao,et al. A high-performance cathode for the next generation of solid-oxide fuel cells , 2004, Nature.
[31] J. Maier,et al. Partial conductivities in SrTiO3 : bulk polarization experiments, oxygen concentration cell measurements, and defect-chemical modeling , 1995 .
[32] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[33] Hafner,et al. Ab initio molecular dynamics for open-shell transition metals. , 1993, Physical review. B, Condensed matter.
[34] S. Shiraki,et al. Negligible Sr segregation on SrTiO3(001)-(13×13)-R33.7° reconstructed surfaces , 2016 .
[35] Dragos Neagu,et al. In situ growth of nanoparticles through control of non-stoichiometry. , 2013, Nature chemistry.
[36] W. Tang,et al. Transition Metal Oxide Work Functions: The Influence of Cation Oxidation State and Oxygen Vacancies , 2012 .
[37] B. Steele,et al. Oxygen transport in selected nonstoichiometric perovskite-structure oxides , 1992 .
[38] K. Reuter. Ab Initio Thermodynamics and First-Principles Microkinetics for Surface Catalysis , 2016, Catalysis Letters.
[39] Ulrike Diebold,et al. The surface science of titanium dioxide , 2003 .
[40] N. A. Deskins,et al. Defining the Role of Excess Electrons in the Surface Chemistry of TiO2 , 2010 .
[41] Zheng-Hong Lu,et al. Universal energy-level alignment of molecules on metal oxides. , 2011, Nature materials.
[42] G. Friedbacher,et al. Correlating surface cation composition and thin film microstructure with the electrochemical performance of lanthanum strontium cobaltite (LSC) electrodes , 2014 .
[43] K. Held,et al. Anisotropic two-dimensional electron gas at SrTiO3(110) , 2013, Proceedings of the National Academy of Sciences.
[44] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[45] S. Ramanathan,et al. Orientation dependent oxygen exchange kinetics on single crystal SrTiO3 surfaces. , 2012, Physical chemistry chemical physics : PCCP.
[46] Kehui Wu,et al. Evolution of the surface structures on SrTiO3(110) tuned by Ti or Sr concentration , 2010, 1012.1941.
[47] Matthias Scheffler,et al. Composition, structure, and stability of RuO2(110) as a function of oxygen pressure , 2001 .
[48] D. Ellis,et al. Electronic structure and thermodynamic stability of double-layered SrTiO3(001) surfaces: Ab initio simulations , 2007 .
[49] T. Ishihara,et al. Surface chemistry evolution in LnBaCo2O5 + δ double perovskites for oxygen electrodes , 2014 .
[50] Yan Chen,et al. Impact of Sr segregation on the electronic structure and oxygen reduction activity of SrTi1−xFexO3 surfaces , 2012 .
[51] B. Yildiz,et al. Chemical Heterogeneities on La0.6Sr0.4CoO3−δ Thin Films—Correlations to Cathode Surface Activity and Stability , 2012 .
[52] N. Benedek,et al. Enhancement of Ionic Transport in Complex Oxides through Soft Lattice Modes and Epitaxial Strain , 2015 .
[53] W. Chueh,et al. High-Flux Solar-Driven Thermochemical Dissociation of CO2 and H2O Using Nonstoichiometric Ceria , 2010, Science.
[54] Juergen Fleig,et al. Relationship between Cation Segregation and the Electrochemical Oxygen Reduction Kinetics of La0.6Sr0.4CoO3−δ Thin Film Electrodes , 2011 .
[55] Bilge Yildiz,et al. Improved chemical and electrochemical stability of perovskite oxides with less reducible cations at the surface. , 2016, Nature materials.
[56] Jürgen Fleig,et al. Solid Oxide Fuel Cell Cathodes: Polarization Mechanisms and Modeling of the Electrochemical Performance , 2003 .
[57] E. Ivers-Tiffée,et al. Hetero-Interfaces at Nanoscaled (La,Sr)CoO3-δ Thin-Film Cathodes Enhancing Oxygen Surface-Exchange Properties , 2013 .
[58] Juergen Fleig,et al. A novel ToF-SIMS operation mode for improved accuracy and lateral resolution of oxygen isotope measurements on oxides , 2013 .
[59] U. Diebold,et al. Strain-induced defect superstructure on the SrTiO3(110) surface. , 2013, Physical review letters.
[60] Juergen Fleig,et al. A novel ToF-SIMS operation mode for sub 100 nm lateral resolution: Application and performance , 2014, Applied surface science.
[61] D. Morgan,et al. Prediction of solid oxide fuel cell cathode activity with first-principles descriptors , 2011 .