About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review B
Paper
Calculation of the barrier for oxygen incorporation into metal and metal-oxide surfaces
Abstract
Using a simple calculational scheme we investigate the potential barriers for oxygen incorporation into clean metals and metal-oxide surfaces. It is shown that the magnitude of the barrier depends on both the structure and the ability of the surface atoms to relax during the incorporation process. We apply the method to the first series of transition metals and their oxides and illustrate that trends in oxidation resistance depend on the magnitude of this barrier. We also show how defects at surfaces can reduce the barrier. © 1987 The American Physical Society.