Article ID Journal Published Year Pages File Type
5359284 Applied Surface Science 2011 4 Pages PDF
Abstract
▶ The C-down configuration is stable for the CO adsorption. ▶ The N-down configuration is more stable than the H-down one for NH3 adsorption. ▶ The mode with an angle of about 120° between the O2 and surface is stable.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Adsorption of CO, NH3 and O2 on Fe site of La0.875Sr0.125FeO3 (0 1 0) surface by density function theory calculation
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