Density functional theory study of the water adsorption at Bi(111) electrode surface
暂无分享,去创建一个
[1] A. Gross,et al. Properties of metal–water interfaces studied from first principles , 2009 .
[2] S. Haq,et al. Water adsorption and the wetting of metal surfaces , 2009 .
[3] E. Lust,et al. Electrochemical impedance study of hydrogen evolution on Bi(001) electrode in the HClO4 aqueous solutions , 2009 .
[4] V. V. Emets,et al. The relation between the potential of zero charge and work function for sp-metals , 2009 .
[5] T. Romann,et al. In situ infrared spectroscopic characterization of a bismuth-ethanol interface , 2008 .
[6] J. Orts,et al. B3LYP study of water adsorption on cluster models of Pt(1 1 1), Pt(1 0 0) and Pt(1 1 0): Effect of applied electric field , 2008 .
[7] T. Romann,et al. Bismuth microelectrode system with in situ renewable surface for electroanalysis and adsorption studies , 2008 .
[8] P. Möller,et al. Adsorption of camphor and 2,2′-bipyridine on Bi(1 1 1) electrode surface , 2008 .
[9] E. Lust,et al. Impedance spectroscopy data for S2O82− anion electroreduction at Bi(1 1 1) plane , 2008 .
[10] S. Meng,et al. First-principles study of water on copper and noble metal (110) surfaces , 2008 .
[11] T. Jacob,et al. The Au(111)/electrolyte interface: a tunnel-spectroscopic and DFT investigation. , 2007, Angewandte Chemie.
[12] Rui P. S. Fartaria,et al. Modelling water adsorption on Au(2 1 0) surfaces. I. A force field for water–Au interactions by DFT , 2007 .
[13] E. Lust,et al. Adsorption of camphor at Bi(111) electrode , 2007 .
[14] Qianlin Tang,et al. Density functional slab model studies of water adsorption on flat and stepped Cu surfaces , 2007 .
[15] G. Karlberg. Adsorption trends for water, hydroxyl, oxygen, and hydrogen on transition-metal and platinum-skin surfaces , 2006 .
[16] Zhaoxu Chen,et al. Theoretical studies on the adsorption and decomposition of H2O on Pd(111) surface , 2006 .
[17] A. Michaelides. Density functional theory simulations of water–metal interfaces: waltzing waters, a novel 2D ice phase, and more , 2006 .
[18] E. Lust,et al. Electroreduction of Hexaamminecobalt(III) Cation on Bi ( h k l ) Electrodes from Weakly Acidified LiClO4 Solutions , 2006 .
[19] Joseph Wang,et al. Stripping Analysis at Bismuth Electrodes: A Review , 2005 .
[20] E. Lust,et al. In situ STM studies of Bi(111) electrodes in aqueous electrolyte solutions , 2005 .
[21] A. Gross,et al. Water bilayer on the Pd/Au(1 1 1) overlayer system: Coadsorption and electric field effects , 2005 .
[22] Timur K. Kim,et al. Evidence against a charge density wave on Bi(111) , 2005 .
[23] Yanzhao Cao,et al. First-principles calculations for the adsorption of water molecules on the Cu(100) surface , 2004, cond-mat/0407222.
[24] J. Nieminen,et al. Imaging water on Ag(111): field induced reorientation and contrast inversion. , 2004, The Journal of chemical physics.
[25] E. Wang,et al. Water adsorption on metal surfaces: A general picture from density functional theory studies , 2004 .
[26] R. Nazmutdinov,et al. Dissociative Adsorption of Water Molecules on Uncharged Surfaces of Indium(111) and Gallium , 2004 .
[27] R. L. Rowley,et al. MP2 Study on Water Adsorption on Cluster Models of Cu(111) , 2004 .
[28] E. Wang,et al. A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations , 2003 .
[29] E. Lust,et al. Influence of geometrical structure of the anions on the adsorption parameters at the Bi(0 0 1) electrode , 2003 .
[30] A. Michaelides,et al. General model for water monomer adsorption on close-packed transition and noble metal surfaces. , 2003, Physical review letters.
[31] C. Sánchez. Molecular reorientation of water adsorbed on charged Ag(1 1 1) surfaces , 2003 .
[32] C. Ast,et al. Two-dimensional band structure and self-energy of Bi(111) near theΓ¯point , 2002 .
[33] E. Lust,et al. Adsorption of anions on bismuth single crystal plane electrodes from various solvents , 2002 .
[34] Michael A. Henderson,et al. The Interaction of Water with Solid Surfaces: Fundamental Aspects Revisited , 2002 .
[35] J. Hafner,et al. Initial stages of oxidation of (100) and (110) surfaces of iron caused by water , 2001 .
[36] E. Lust,et al. Adsorption of halide anions on bismuth single crystal plane electrodes , 2000 .
[37] R. A. Santen,et al. Interaction of H, O and OH with metal surfaces , 1999 .
[38] J. Gomes,et al. A theoretical study of the interaction of water molecules with the Cu(100), Ag(100) and Au(100) surfaces , 1997 .
[39] K. Heinzinger,et al. Quantum chemical study of the adsorption of an H2O molecule on an uncharged mercury surface , 1994 .
[40] W. Schmickler. Dipole lattice models for solvent molecules in the inner layer , 1983 .
[41] Frank Weinhold,et al. Natural hybrid orbitals , 1980 .
[42] J. Janak,et al. Proof that ? E /? n i =e in density-functional theory , 1978 .
[43] Brian E. Conway,et al. Modern Aspects of Electrochemistry , 1974 .
[44] J. Nørskov,et al. Chemical bonding at surfaces and interfaces , 2008 .
[45] L. Delle Site,et al. Adsorption of Water Molecules on Flat and Stepped Nickel Surfaces from First Principles. , 2005, Journal of chemical theory and computation.
[46] E. Gileadi,et al. Thermodynamics and Electrified Interfaces , 2002 .
[47] B. N. Afanas’ev,et al. A correlation between the hydrophilicity of a metal and its surface tension. Calculation of the bond energy of water molecules adsorbed on an uncharged metal surface , 2000 .
[48] R. Nazmutdinov,et al. Quantum-chemical investigation of interaction of water molecules with surfaces of metal electrodes , 1999 .
[49] A. Jänes,et al. Electric double layer structure and adsorption of cyclohexanol on single crystal cadmium, antimony and bismuth electrodes , 1997 .
[50] E. Lust,et al. The structure of the electrical double layer at the faces of bismuth, antimony, or cadmium single crystals in surface-inactive electrolytes , 1996 .