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Quantum-Classical Transition Analogy of the Diffusion-Mobility Relation for Hopping and Band Transport Systems: Molecules to Materials.

Karuppuchamy Navamani
Published in: ACS omega (2023)
We propose a quantum-classical transition analogy for Einstein's diffusion-mobility ( D /μ) relation to reveal electron-hole dynamics in both the degenerate and nondegenerate molecular and material systems. Here, one-to-one variation between differential entropy and chemical potential (Δη/Δ h s ) is the proposed analogy, which unifies quantum and classical transport. The degeneracy stabilization energy on D /μ decides whether the transport is quantum or classical; accordingly, the transformation occurs in the Navamani-Shockley diode equation.
Keyphrases
  • molecular dynamics
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