Any advised about calculating Oxygen adsorbing on the surface of some materials?
Dear Sophiaa,
You can go for Mapping by SEM or FESEM and then calculate amount of oxygen (per unit area) adsorbed ( if your material surface already does not have oxygen) by some image analysis software like Image J or etc.
Which materials? You can use thermal analysis combined with MS. Or TPD-MS methods.
ESCA (XPS) or Auger can be used to look at the oxidation state of elements on the top 5 - 10 atomic layers. In air all species will be oxidized. A chemisorption experiment (cf BET) with a preparative reduction stage (to remove oxide) followed by oxygen chemisorption can provide the specific surface area amenable to oxygen.
Thank you everyone，I want to know about theoretical simulation not experiment. For example, using VASP ,Dmol3，CASTEP or other codes。
Hello,
Alan Rawle, thank you for your answer. you mean the theory and practice is different?
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