Adsorption is found to be generally exothermic and occurs predominantly on the surface carbon atoms.  An ab initio thermodynamics formalism is used to study the properties of the slabs as the hydrogen coverage is increased.
THERM
Adsorption is found to be generally exothermic and occurs predominantly on the surface carbon atoms.  An ab initio thermodynamics formalism is used to study the properties of the slabs as the hydrogen coverage is increased.
THERM