Highly Sensitive CO Gas Sensor from Defective Graphene: Role of van der Waals Interactions
The DOS for (a) CO on pristine graphene and (b) CO on defective graphene. Spin-polarized density of states (DOS) for (c) defective graphene and (d) CO on defective graphene. The Femi level of the system is set to zero. Calculated differential charge densities for (e) CO on pristine graphene and (f) CO on defective graphene. Blue color and yellow color show the areas with and , respectively. Note that different isosurface levels were used in plots (e) and (f): 0.0002 for the former and 0.002 for the latter.