Evaluating quantum entanglement generation in two-dimensional graphene systems through lithium ion interactions: A...

Area of Science:

• Computational Materials Science
• Quantum Chemistry
• Condensed Matter Physics

Background:

• Graphene-based 2D materials offer unique electronic properties.
• Lithium ion interactions are crucial for energy storage and quantum applications.
• Understanding inter-fragment interactions in layered 2D systems is key to designing novel materials.

Purpose of the Study:

• To investigate the interaction energy between graphene sheets and lithium ions using Density Functional Theory.
• To analyze electronic transitions and assess the potential for quantum entanglement.
• To determine the applicability of the Lennard-Jones potential to these systems.

Main Methods:

• Utilized Density Functional Theory (DFT) for electronic structure calculations.
• Modeled a system of two face-to-face graphene sheets with a central lithium ion.
• Analyzed interaction energies, electronic transitions, and quantum entanglement feasibility.

Main Results:

• Interaction energies were found to follow the Lennard-Jones potential, suggesting favorable system formation.
• Estimated Lennard-Jones constants: A = [VALUE] kcal/mol and B = 1.63 [UNITS].
• Identified specific electronic transitions and potential pathways for quantum entanglement generation.

Conclusions:

• The interaction between graphene fragments and lithium ions can be accurately described by the Lennard-Jones potential.
• The investigated system demonstrates potential for quantum entanglement mediated by lithium ion interactions.
• These findings contribute to the development of advanced 2D materials for quantum technologies.