Adsorption superlattice stabilized by elastic interactions in a soft porous crystal

TL;DR

This study demonstrates that elastic interactions in soft porous crystals can stabilize a superlattice of adsorbed molecules, offering insights into controlling molecular arrangements through elasticity effects.

Contribution

The paper introduces a mechanism for superlattice formation driven by elastic interactions in soft porous crystals, supported by numerical modeling and thermodynamic analysis.

Findings

Superlattice stabilized by elastic interactions in a honeycomb lattice model.

Long-range ordered 1/3-filling superlattice emerges under strong elastic interactions.

Superlattice state remains stable against thermal fluctuations.

Abstract

We numerically show that molecules adsorbed in a soft porous crystal form a superlattice (SL) stabilized by elastic interactions. In a mechanically flexible honeycomb lattice model, when the elastic interactions between the next nearest neighboring lattice sites are strong, a long-range ordered 1/3-filling SL state emerges. By calculating the thermodynamic stability, it is found that the SL state is robust against thermal fluctuation. Our results provide a mechanism of elasticity-driven SL formation, which can be utilized for controlling the distribution of adsorbed molecules.