Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfacesKITCHIN, J. R ; NØRSKOV, J. K ; BARTEAU, M. A ; CHEN, J. GPhysical review letters, 2004-10, Vol.93 (15), p.156801.1-156801.4, Article 156801 [Periódico revisado por pares]Ridge, NY: American Physical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Alchemical Predictions for Computational Catalysis: Potential and LimitationsSaravanan, Karthikeyan ; Kitchin, John R ; von Lilienfeld, O. Anatole ; Keith, John AThe journal of physical chemistry letters, 2017-10, Vol.8 (20), p.5002-5007 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell CathodeNørskov, J. K ; Rossmeisl, J ; Logadottir, A ; Lindqvist, L ; Kitchin, J. R ; Bligaard, T ; Jónsson, HThe journal of physical chemistry. B, 2004-11, Vol.108 (46), p.17886-17892 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Alkaline Electrolyte and Fe Impurity Effects on the Performance and Active-Phase Structure of NiOOH Thin Films for OER Catalysis ApplicationsMichael, John D ; Demeter, Ethan L ; Illes, Steven M ; Fan, Qingqi ; Boes, Jacob R ; Kitchin, John RJournal of physical chemistry. C, 2015-05, Vol.119 (21), p.11475-11481 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfacesAkhade, Sneha A ; Kitchin, John RThe Journal of chemical physics, 2012-08, Vol.137 (8), p.084703-084703 [Periódico revisado por pares]United StatesTexto completo disponível |
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6 |
Material Type: Artigo
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Hydrogen dissociation and spillover on individual isolated palladium atomsTierney, Heather L ; Baber, Ashleigh E ; Kitchin, John R ; Sykes, E Charles HPhysical review letters, 2009-12, Vol.103 (24), p.246102-246102, Article 246102 [Periódico revisado por pares]United StatesTexto completo disponível |
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7 |
Material Type: Artigo
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Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metalsKitchin, J R ; Nørskov, J K ; Barteau, M A ; Chen, J GThe Journal of chemical physics, 2004-06, Vol.120 (21), p.10240-10246 [Periódico revisado por pares]United StatesTexto completo disponível |
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8 |
Material Type: Artigo
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Investigating the Reactivity of Single Atom Alloys Using Density Functional TheoryThirumalai, Hari ; Kitchin, John R.Topics in catalysis, 2018-05, Vol.61 (5-6), p.462-474 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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9 |
Material Type: Artigo
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A density functional theory parameterised neural network model of zirconiaWang, Chen ; Tharval, Akshay ; Kitchin, John R.Molecular simulation, 2018-05, Vol.44 (8), p.623-630 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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10 |
Material Type: Artigo
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Spectroscopic Characterization of Mixed Fe–Ni Oxide Electrocatalysts for the Oxygen Evolution Reaction in Alkaline ElectrolytesLandon, James ; Demeter, Ethan ; İnoğlu, Nilay ; Keturakis, Chris ; Wachs, Israel E. ; Vasić, Relja ; Frenkel, Anatoly I. ; Kitchin, John R.ACS catalysis, 2012-08, Vol.2 (8), p.1793-1801 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |