I need to calculate surface coverage (molecule/nm2) of the adsorption of a molecule in a surface? Is there any software to do this? Im doing a DFT work on VASP.
If we know cross sections of this molecule and we can Measure how many molecules coverage in a unit surface area, then we can calculate surface coverage (molecule/cm2) of a molecule in a surface.
If we know cross sections of this molecule and we can Measure how many molecules coverage in a unit surface area, then we can calculate surface coverage (molecule/cm2) of a molecule in a surface.
If you are taking about experimental work, what you need is to measure the flux then you can control the time knowing how many molecules you deposited per unit area. Then it is a matter of unit conversion.
If you have already the adsorbates, you can use the surface reconstruction of using LEED or RHEED, or maybe STM.
By DFT, you would consider the crystal structure then the lattice spacings
in this case you can convert numbers to areas or vice versa
Do you have a plane substrate? For Polymer we use ellipsometry and calculate the optical thickness and by using a formula we getting the surface coverage out of this data.
I need to calculate surface coverage (molecule/nm2) of the adsorption of a molecule in a surface? ( I know the number of molecules coverage in a unit surface area and weight loss from TGA data).