Open AccessPRECURSOR STATES AND HIGH MOBILE PROPERTY OF H2O ON Pt(100) SURFACE
Author(s) -
Shi Dan-Hua,
Cao Pei-Lin
Publication year - 1987
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.36.368
Subject(s) - chemisorption , sticking coefficient , diffusion , materials science , adsorption , molecule , surface (topology) , surface diffusion , substrate (aquarium) , atom (system on chip) , chemical physics , binding energy , atomic physics , molecular physics , chemistry , thermodynamics , physics , geometry , quantum mechanics , mathematics , oceanography , desorption , computer science , embedded system , geology
Using ASED-MO method, the binding energies for different adsorption orientations and positions of H2O molecule on Pt(l00), and the activation energies and coefficient of surface diffusion are calculated. It is found that there are precursor states for H2O chemisorption, through which the equilibrium geometry via O atom toward substrate on top position is reached. When H2O molecule is in the precursor states, the potential surface is very flat, the diffusion coefficient is large and the mobility is high.