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Hosoya entropy analysis of some fullerene structures
Ali N A Koam1, Muhammad Faisal Nadeem2, Ali Ahmad3
1Department of Mathematics, College of Science, Jazan University, P.O. Box. 114, 45142, Jazan, Kingdom of Saudi Arabia.
Discover Nano
|July 1, 2025
Summary
This study quantifies fullerene structural complexity using Hosoya entropy. Larger fullerenes exhibit higher entropy due to increased complexity, offering insights for material science applications.
Area of Science:
- Chemical Graph Theory
- Materials Science
- Nanotechnology
Background:
- Fullerenes are allotropes of carbon with unique cage-like structures.
- Understanding fullerene structural complexity is crucial for predicting their properties.
- Hosoya entropy is a valuable graph-theoretic descriptor for molecular complexity.
Purpose of the Study:
- To investigate the relationship between fullerene size and structural complexity.
- To calculate Hosoya entropy for various fullerene structures.
- To provide theoretical insights into fullerene intricacies for potential applications.
Main Methods:
- Utilized graph theory to represent fullerene structures.
- Calculated Hosoya entropy values for specific fullerene families (e.g., F(3,1)s, F(4,2)s).
- Analyzed entropy trends for fullerenes ranging from C20 to C100.
Main Results:
- A positive correlation was observed between fullerene size and Hosoya entropy.
- Smaller, more symmetrical fullerenes (e.g., C20) showed lower entropy values.
- Increased structural complexity and diversity of equivalence classes in larger fullerenes lead to higher entropy.
Conclusions:
- Hosoya entropy effectively measures the structural complexity of fullerene graphs.
- Fullerene entropy increases with molecular size, reflecting greater structural diversity.
- These findings contribute to the theoretical understanding of fullerenes for material science and nanotechnology.
Keywords:
Carbon allotropesFullerene stabilityFullerene structuresHosoya entropyMolecular complexityNanotechnologyMore Related Videos
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