4.6 Article

Shells in CO2 clusters

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 24, Issue 9, Pages 5343-5350

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp05866e

Keywords

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Funding

  1. National Science Foundation of China [12047501]
  2. 111 Project [B20063]
  3. U.S. National Science Foundation [CHE-1664601]
  4. Swiss National Science Foundation [200020_200306, 46]
  5. Swiss National Science Foundation (SNF) [200020_200306] Funding Source: Swiss National Science Foundation (SNF)

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The abundance spectra of (CO2)(N) clusters were analyzed under a wide range of adiabatic expansion conditions, revealing a universal pattern in cluster stability functions. Individual cluster properties, size-dependent cluster binding energies, shell and subshell closing sizes, and cuboctahedral packing ordering for larger sizes were identified through the analysis. The study demonstrates that even a small variation in dissociation energies can lead to significant abundance variations, especially for larger clusters.
Abundance spectra of (CO2)(N) clusters up to N approximate to 500 acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. The analysis reveals that the cluster stability functions display a strikingly universal pattern for all expansion conditions. These patterns reflect the inherent properties of individual clusters. From this analysis the size-dependent cluster binding energies are determined, shell and subshell closing sizes are identified, and cuboctahedral packing ordering for sizes above N approximate to 130 is confirmed. It is demonstrated that a few percent variation in the dissociation energies translates into significant abundance variations, especially for the larger clusters.

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