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Molecular CO₂ Storage: State of a Single-Molecule Gas.

ABSTRACT: CO₂ evolution is one of the urgent global issues; meanwhile, understanding of sorptive/dynamic behavior is crucial to create next-generation encapsulant materials with stable sorbent processes. Herein, we showcase molecular CO₂ storage constructed by a [60]fullerenol nanopocket. The CO₂ density reaches 2.401 g/cm³ within the nanopore, showing strong intramolecular interactions, which induce nanoconfinement effects such as forbidden translation, restricted rotation, and perturbed vibration of CO₂. We also disclosed an equation of state for a molecular CO₂ gas, revealing a very low pressure of 3.14 rPa (1 rPa = 10^-27 Pa) generated by the rotation/vibration at 300 K. Curiously enough, the CO₂ capture enabled to modulate an external property of the encapulant material itself, i.e., association of the [60]fullerenol via intercage hydrogen-bonding.

SUBMITTER: Hashikawa Y

PROVIDER: S-EPMC10979473 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature

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Molecular CO2 Storage: State of a Single-Molecule Gas.

Hashikawa Yoshifumi Y Sadai Shumpei S Murata Yasujiro Y

ACS physical chemistry Au 20240116 2

CO2 evolution is one of the urgent global issues; meanwhile, understanding of sorptive/dynamic behavior is crucial to create next-generation encapsulant materials with stable sorbent processes. Herein, we showcase molecular CO2 storage constructed by a [60]fullerenol nanopocket. The CO2 density reaches 2.401 g/cm3 within the nanopore, showing strong intramolecular interactions, which induce nanoconfinement effects such as forbidden translation, restric ...[more]

PMID: 38560749

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