Hydrogen and halide co-adsorption on Pt(111) in an electrochemical environment: a computational perspective
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[1] R. Sarpong,et al. Bio-inspired synthesis of xishacorenes A, B, and C, and a new congener from fuscol† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc02572c , 2019, Chemical science.
[2] M. Janik,et al. Electrochemical specific adsorption of halides on Cu 111,100, and 211: A Density Functional Theory study , 2015 .
[3] A. Gross,et al. Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method. , 2015, The Journal of chemical physics.
[4] Florian Gossenberger,et al. Halide adsorption on close-packed metal electrodes. , 2014, Physical chemistry chemical physics : PCCP.
[5] W. Schmickler,et al. The partial charge transfer , 2014 .
[6] R. Jinnouchi,et al. DFT calculations on H, OH and O adsorbate formations on Pt(111) and Pt(332) electrodes , 2014 .
[7] Florian Gossenberger,et al. Change of the work function of platinum electrodes induced by halide adsorption , 2014, Beilstein journal of nanotechnology.
[8] A. Anderson,et al. Using Gibbs Energies to Calculate the Pt(111) Hupd Cyclic Voltammogram , 2013 .
[9] T. Roman,et al. Periodic density-functional calculations on work-function change induced by adsorption of halogens on Cu(111). , 2013, Physical review letters.
[10] T. Roman,et al. Structure of water layers on hydrogen-covered Pt electrodes , 2013 .
[11] A. Gross. Ab initio molecular dynamics study of H2 adsorption on sulfur- and chlorine-covered Pd(100) , 2013 .
[12] M. Mavrikakis,et al. Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study , 2012 .
[13] W. Schmickler,et al. Hydrogen electrocatalysis on single crystals and on nanostructured electrodes. , 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.
[14] Stephen T. Marshall,et al. Surface-level mechanistic studies of adsorbate–adsorbate interactions in heterogeneous catalysis by metals , 2011 .
[15] A. Gross,et al. Challenges in the first-principles description of reactions in electrocatalysis , 2011 .
[16] M. Koper,et al. A sublattice-model isotherm for the competitive coadsorption of hydrogen and bromide on a Pt(100) electrode. , 2010, Physical chemistry chemical physics : PCCP.
[17] Thomas Bligaard,et al. Electrochemical chlorine evolution at rutile oxide (110) surfaces. , 2010, Physical chemistry chemical physics : PCCP.
[18] Zhipan Liu,et al. Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model , 2009 .
[19] V. Stamenkovic,et al. Adsorption of hydrogen on Pt(111) and Pt(100) surfaces and its role in the HOR , 2008 .
[20] T. Roman,et al. Coadsorbed H and CO interaction on platinum. , 2008, Physical chemistry chemical physics : PCCP.
[21] R. Jinnouchi,et al. Aqueous and Surface Redox Potentials from Self-Consistently Determined Gibbs Energies , 2008 .
[22] H. Jónsson,et al. Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode. , 2007, Physical chemistry chemical physics : PCCP.
[23] M. Scheffler,et al. CO oxidation at Pd"100…: A first-principles constrained thermodynamics study , 2007, cond-mat/0701777.
[24] Christopher D. Taylor,et al. Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111). , 2006, The journal of physical chemistry. B.
[25] T. Roman,et al. Hydrogen atom quantum migration on platinum , 2006 .
[26] N. Garcia‐Araez,et al. Thermodynamic studies of bromide adsorption at the Pt(111) electrode surface perchloric acid solutions: Comparison with other anions , 2006 .
[27] J. Lukkien,et al. Competitive adsorption of hydrogen and bromide on Pt(100) : Mean-field approximation vs. Monte Carlo simulations , 2006 .
[28] V. Climent,et al. Determination of the Gibbs excess of H adsorbed at a Pt(111) electrode surface in the presence of co-adsorbed chloride , 2005 .
[29] A. Gross,et al. Water bilayer on the Pd/Au(1 1 1) overlayer system: Coadsorption and electric field effects , 2005 .
[30] V. Climent,et al. Thermodynamic studies of chloride adsorption at the Pt(111) electrode surface from 0.1 M HClO4 solution , 2005 .
[31] H. Jónsson,et al. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode , 2004 .
[32] M. Arenz,et al. The effect of specific chloride adsorption on the electrochemical behavior of ultrathin Pd films deposited on Pt(1 1 1) in acid solution , 2003 .
[33] N. Marković,et al. Temperature dependent surface electrochemistry on Pt single crystals in alkaline electrolytes: Part 2. The hydrogen evolution/oxidation reaction , 2002 .
[34] P. Ross,et al. Surface science studies of model fuel cell electrocatalysts , 2002 .
[35] T. Ala‐Nissila,et al. Energetics and vibrational states for hydrogen on Pt(111). , 2002, Physical review letters.
[36] O. Magnussen. Ordered anion adlayers on metal electrode surfaces. , 2002, Chemical reviews.
[37] M. Scheffler,et al. Composition, structure, and stability of RuO2(110) as a function of oxygen pressure , 2001, cond-mat/0107229.
[38] B. Hammer. Coverage dependence of N 2 dissociation at an N, O, or H precovered Ru(0001) surface investigated with density functional theory , 2001 .
[39] T. Fukushima,et al. Local work-function changes of Pt(111) studied by STM and IRAS : coadsorption of Cl- with H3O +, NO, and CO molecules , 2000 .
[40] J. Lipkowski,et al. Chronocoulometric studies of chloride adsorption at the Pt(111) electrode surface , 2000 .
[41] R. D. Levie,et al. The electrolysis of water , 1999 .
[42] Hubert A. Gasteiger,et al. Oxygen reduction reaction on Pt(111): effects of bromide , 1999 .
[43] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[44] Maria Luisa Foresti,et al. Electrosorption Valency and Partial Charge Transfer in Halide and Sulfide Adsorption on Ag(111) , 1998 .
[45] Aicheng Chen,et al. Ionic adsorption at the Au(111) electrode , 1998 .
[46] Youn-Geun Kim,et al. UNDERPOTENTIAL DEPOSITION OF COPPER ON IODINE-MODIFIED PT(111) : IN SITU STM AND EX SITU LEED STUDIES , 1998 .
[47] A. Gross,et al. Ab initio calculation of the potential energy surface for the dissociation of H_2 on the sulfur-covered Pd(100) surface , 1997, cond-mat/9711289.
[48] R. Schennach,et al. Chlorine adsorption on Pt(111) and Pt(110) , 1997 .
[49] P. Ross,et al. Adsorption of halide anions at the Pt(111)-solution interface studied by {bold {ital in situ}} surface x-ray scattering , 1997 .
[50] M. J. Weaver,et al. Infrared Spectroscopy of Model Electrochemical Interfaces in Ultrahigh Vacuum: Evidence for Coupled Cation−Anion Hydration in the Pt(111)/K+,Cl- System , 1996 .
[51] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[52] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[53] K. Heinzinger,et al. Structure and dynamics of water and hydrated ions near platinum and mercury surfaces as studied by MD simulations , 1996 .
[54] A. Aldaz,et al. NATURE OF BR ADLAYERS ON PT(111) SINGLE-CRYSTAL SURFACES. VOLTAMMETRIC, CHARGE DISPLACEMENT, AND EX SITU STM EXPERIMENTS , 1996 .
[55] Satoru Tanaka,et al. In-situ scanning tunneling microscopy of bromine adlayers on Pt(111) , 1995 .
[56] B. Klötzer,et al. Reaction of adsorbed chlorine with hydrogen on a Pt(100) face , 1995 .
[57] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[58] H. Baltruschat,et al. On the rate of hydrogen and iodine adsorption on polycrystalline Pt and Pt(111) , 1994 .
[59] M. J. Weaver,et al. Comparisons between Scanning Tunneling Microscopy and Outer-Sphere Electron-Transfer Rates at Pt(111) Surfaces Coated with Ordered Iodine Adlayers , 1991 .
[60] S. Yau,et al. In situ scanning tunneling microscopy of adsorbates on electrode surfaces: images of the (.sqroot.3.times..sqroot.3)R30.degree.-iodine adlattice on platinum(111) , 1990 .
[61] Paxton,et al. High-precision sampling for Brillouin-zone integration in metals. , 1989, Physical review. B, Condensed matter.
[62] F. Wagner,et al. Hydrogen chloride adsorption and coadsorption with hydrogen or water on platinum (111) , 1989 .
[63] S. Yau,et al. Atomic Resolution Imaging of Adsorbates on Metal Surfaces in Air: Iodine Adsorption on Pt(111) , 1989, Science.
[64] H. Baltruschat,et al. Adlattice structure and hydrophobicity of Pt (111) in aqueous potassium iodide solutions: Influence of pH and electrode potential , 1987 .
[65] A. Wiȩckowski,et al. Electrodeposition of lead onto platinum(111) in aqueous bromide solutions. Studies by LEED and Auger spectroscopy , 1987 .
[66] J. Stickney,et al. Characterization of single-crystal electrode surfaces as a function of potential and pH by Auger spectroscopy and LEED: Pt (111) in aqueous CaCl2 and HCl solutions , 1987 .
[67] J. Stickney,et al. Structure and composition of a platinum(111) surface as a function of pH and electrode potential in aqueous bromide solutions , 1986 .
[68] S. Trasatti. The absolute electrode potential: an explanatory note (Recommendations 1986) , 1986 .
[69] J. Stickney,et al. Electrodeposition of Copper on Platinum (111) Surfaces Pretreated with Iodine Studies by LEED, Auger Spectroscopy, and Electrochemistry , 1984 .
[70] H. Farrell. The coadsorption of I and Cl on Pt(111) , 1980 .
[71] W. Erley. Chlorine adsorption on the (111) faces of Pd and Pt , 1980 .
[72] T. Felter,et al. L.e.e.d. and electrochemistry of iodine on Pt(100) and Pt(111) single-crystal surfaces , 1979 .
[73] F. Netzer,et al. The adsorption of bromine on Pt(111): Observation of an irreversible order-disorder transition , 1979 .
[74] V. S. Bagotzky,et al. Adsorption of anions on smooth platinum electrodes , 1970 .
[75] Florian Gossenberger,et al. Equilibrium coverage of halides on metal electrodes , 2015 .
[76] V. Stamenkovic,et al. The role of anions in surface electrochemistry. , 2008, Faraday discussions.
[77] M. Song. STM Observation of Pt{111}(3$\times$3)-CI and c(4$\times$2)-CI Structures , 2001 .
[78] J. Lipkowski,et al. Coadsorption of metal atoms and anions: Cu upd in the presence of SO42−, Cl− and Br− , 1995 .
[79] J. Stickney,et al. Ordered ionic layers formed on platinum(111) from aqueous solutions , 1985 .
[80] Faraday Discuss , 1985 .