[Pw_forum] How to decide fnosep for slab model describing the heterogeneous reaction

vega lew quantumdft at gmail.com
Sat Nov 28 03:58:07 CET 2009


Dear all,

I wonder how to decide the fnosep for the slab model describing the
heterogeneous reaction.
Should I using the IR vibrational spectrum tested by the experiment?
if there are two or three character peak, should I average the three by
relative intensity?

best

vega

-- 
==================================================================================
Vega Lew ( weijia liu)
Graduate student
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
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