To estimate the number of functional molecules per square centimeter of substrate, we first need to calculate the area occupied by each molecule in the hexagonal close packed structures.
In HCP, the sulfur atoms are arranged in a hexagonal lattice with a spacing of 4.99 Å between neighboring atoms. The area of each unit cell in the HCP structure can be calculated as follows:
Area of unit cell = (3√3 / 2) × (4.99 Å)2 = 64.57 Å2
Since there are two sulfur atoms per unit cell, the area occupied by each sulfur atom can be calculated as:
Area per sulfur atom = 64.57 Å2 / 2 = 32.28 Å2
Now, we need to convert the area occupied by each sulfur atom to the area occupied by each functional molecule. Let's assume that each functional molecule contains one sulfur atom and has a cross-sectional area of A.
Then, the number of functional molecules per square centimeter can be calculated as:
Number of functional molecules/cm2 = (1 / A) × (1 / 32.28 Å2) × (10^8 Å2 / cm2)
Solving for the unknown parameter A, we get:
A = (1 / Number of functional molecules/cm2) × (32.28 Å2) × (10^-8 cm2/Å2)
Let's assume that there are N functional molecules per square centimeter. Then, substituting N for Number of functional molecules/cm2, we get:
A = (1 / N) × (32.28 Å2) × (10^-8 cm2/Å2)
Using the given information that the sulfur atoms are spaced 4.99 Å apart, we can calculate the cross-sectional area of each functional molecule as follows:
A = π × (4.99 Å / 2)^2 = 19.57 Å2
Substituting this value into the equation for A, we get:
N = (32.28 Å2) × (10^-8 cm2/Å2) / (19.57 Å2) = 1.65 × 10^13 molecules/cm2
Therefore, the estimated number of functional molecules per square centimeter of substrate is approximately 1.65 × 10^13.