Autocatalytic water dissociation on Cu(110) at near ambient conditions.
نویسندگان
چکیده
Autocatalytic dissociation of water on the Cu(110) metal surface is demonstrated on the basis of X-ray photoelectron spectroscopy studies carried out in situ under near ambient conditions of water vapor pressure (1 Torr) and temperature (275-520 K). The autocatalytic reaction is explained as the result of the strong hydrogen-bond in the H2O-OH complex of the dissociated final state, which lowers the water dissociation barrier according to the Brønsted-Evans-Polanyi relations. A simple chemical bonding picture is presented which predicts autocatalytic water dissociation to be a general phenomenon on metal surfaces.
منابع مشابه
Structure, Bonding and Chemistry of Water and Hydroxyl on Transition Metal Surfaces
The structure, bonding and chemistry of water and hydroxyl on certain well-defined metal single-crystal surfaces are presented in this thesis. Synchrotron based core level spectroscopies (x-ray photoelectron (XP)and x-ray absorption (XA) spectroscopy) in combination with scanning tunneling microscopy (STM), low energy electron diffraction (LEED) and density functional theory (DFT) calculations ...
متن کاملFirst-principles study of water on copper and noble metal (110) surfaces
Water structure and dissociation kinetics on a model open metal surface: Cu 110 , has been investigated in detail based on first-principles electronic structure calculations. We revealed that in both monomer and overlayer forms, water adsorbs molecularly, with a high tendency for diffusion and/or desorption rather than dissociation on clean surfaces at low temperature. Studying water on other n...
متن کاملThe Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study
In this study, the theoretical calculations of CO dissociation were carried out on Cu-Fe alloy surface by a full-potential method, which made more accurate results especially on the prediction of adsorption energies. This process may be governed by either a direct route or a H-assisted via HCO and COH intermediates pathways. In comparison to the pure surface Fe (100), the presence of Cu atom en...
متن کاملBridging the Pressure Gap in Water and Hydroxyl Chemistry on Metal Surfaces: the Cu(110) case
We report the first measurements on the quantitative partitioning of water between its molecular and dissociated forms at a gas-metal interface under elevated water pressures and temperatures. By means of synchrotron-based in-situ photoelectron spectroscopy, mixed H2O and OH phases on Cu(110) at H2O pressures up to 1 Torr in the 275 – 520 K temperature range are studied. In increasing order of ...
متن کاملWater and ammonia on Cu{110}: comparative structure and bonding.
Water and ammonia are arguably the two most important inorganic molecular species in the modern world, and their interaction with metal surfaces is key to unlocking their further potential in a number of spheres. In this comparative study, conducted on the Cu{110} substrate, we present results from first-principles density functional theory that highlight the similarities and differences betwee...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Journal of the American Chemical Society
دوره 130 9 شماره
صفحات -
تاریخ انتشار 2008