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- W2058361309 abstract "Abstract Density functional theory combined with a modified Poisson–Boltzmann theory (DFT-MPB) is applied to H, OH and O adsorbate formations on electrified Pt(111) and Pt(332) surfaces in an acid aqueous solution. In this method, the chemical bonds between adsorbates and electrodes are quantitatively described by the DFT, and solvation and electric field effects by the electric double layer are described by combining explicit water adlayer models and modeled continuum electrolyte. The results indicated that H, OH and O are bound less strongly to (110)-step on Pt(332) than to terrace on Pt(111) in the electric double layer while the trend is opposite in vacuum. The trend in the electric double layer is consistent with our experimentally-obtained cyclic voltammograms, in which H and (hydr)oxides are formed less easily (at lower and higher potentials, respectively) on Pt(332) than on Pt(111). The small binding energies in the modeled electric double layer mainly stem from destabilizations of adsorbates by the presence of strongly adsorbed water molecules forming 1D H-bond networks on the step. Other effects also are found to contribute to the destabilizations: the strain on the Pt(332) terrace, the confinement by the Pt atoms near the step and the water orientation changes by the formations of adsorbates." @default.
- W2058361309 created "2016-06-24" @default.
- W2058361309 creator A5014137404 @default.
- W2058361309 creator A5024625913 @default.
- W2058361309 creator A5030224847 @default.
- W2058361309 date "2014-03-01" @default.
- W2058361309 modified "2023-10-14" @default.
- W2058361309 title "DFT calculations on H, OH and O adsorbate formations on Pt(111) and Pt(332) electrodes" @default.
- W2058361309 cites W1521150471 @default.
- W2058361309 cites W1569750188 @default.
- W2058361309 cites W1854551720 @default.
- W2058361309 cites W1963902686 @default.
- W2058361309 cites W1965772776 @default.
- W2058361309 cites W1966611654 @default.
- W2058361309 cites W1966815836 @default.
- W2058361309 cites W1966862118 @default.
- W2058361309 cites W1967097295 @default.
- W2058361309 cites W1968291495 @default.
- W2058361309 cites W1972909908 @default.
- W2058361309 cites W1980132675 @default.
- W2058361309 cites W1981368803 @default.
- W2058361309 cites W1983832167 @default.
- W2058361309 cites W1986020192 @default.
- W2058361309 cites W1986657511 @default.
- W2058361309 cites W1986977956 @default.
- W2058361309 cites W1987641247 @default.
- W2058361309 cites W1988024659 @default.
- W2058361309 cites W1991149034 @default.
- W2058361309 cites W1992032522 @default.
- W2058361309 cites W1992301238 @default.
- W2058361309 cites W1994659810 @default.
- W2058361309 cites W1995152244 @default.
- W2058361309 cites W199576639 @default.
- W2058361309 cites W1999248820 @default.
- W2058361309 cites W2000692752 @default.
- W2058361309 cites W2002960855 @default.
- W2058361309 cites W2004731257 @default.
- W2058361309 cites W2006807267 @default.
- W2058361309 cites W2012831352 @default.
- W2058361309 cites W2013288190 @default.
- W2058361309 cites W2016305442 @default.
- W2058361309 cites W2016769480 @default.
- W2058361309 cites W2016805737 @default.
- W2058361309 cites W2017335230 @default.
- W2058361309 cites W2017907420 @default.
- W2058361309 cites W2018291037 @default.
- W2058361309 cites W2019266755 @default.
- W2058361309 cites W2021197451 @default.
- W2058361309 cites W2021747225 @default.
- W2058361309 cites W2022000402 @default.
- W2058361309 cites W2022112942 @default.
- W2058361309 cites W2022506699 @default.
- W2058361309 cites W2022591819 @default.
- W2058361309 cites W2022714449 @default.
- W2058361309 cites W2023166289 @default.
- W2058361309 cites W2027125582 @default.
- W2058361309 cites W2028324262 @default.
- W2058361309 cites W2029794069 @default.
- W2058361309 cites W2030582590 @default.
- W2058361309 cites W2030976617 @default.
- W2058361309 cites W2031604052 @default.
- W2058361309 cites W2031684734 @default.
- W2058361309 cites W2032364562 @default.
- W2058361309 cites W2033679024 @default.
- W2058361309 cites W2035034028 @default.
- W2058361309 cites W2035401070 @default.
- W2058361309 cites W2035986398 @default.
- W2058361309 cites W2036113194 @default.
- W2058361309 cites W2038026789 @default.
- W2058361309 cites W2039185481 @default.
- W2058361309 cites W2039983821 @default.
- W2058361309 cites W2042385672 @default.
- W2058361309 cites W2043656844 @default.
- W2058361309 cites W2044027138 @default.
- W2058361309 cites W2045587339 @default.
- W2058361309 cites W2045596260 @default.
- W2058361309 cites W2046472935 @default.
- W2058361309 cites W2048647215 @default.
- W2058361309 cites W2048782953 @default.
- W2058361309 cites W2050729144 @default.
- W2058361309 cites W2053753071 @default.
- W2058361309 cites W2054216303 @default.
- W2058361309 cites W2055316400 @default.
- W2058361309 cites W2055563809 @default.
- W2058361309 cites W2056260513 @default.
- W2058361309 cites W2059835590 @default.
- W2058361309 cites W2060624351 @default.
- W2058361309 cites W2060671473 @default.
- W2058361309 cites W2060721384 @default.
- W2058361309 cites W2060805189 @default.
- W2058361309 cites W2061332255 @default.
- W2058361309 cites W2068113823 @default.
- W2058361309 cites W2069726043 @default.
- W2058361309 cites W2070888128 @default.
- W2058361309 cites W2071890513 @default.
- W2058361309 cites W2072419120 @default.
- W2058361309 cites W2072837550 @default.
- W2058361309 cites W2072873551 @default.