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arXiv · 2308.04651

Adsorption superlattice stabilized by elastic interactions in a soft porous crystal

Kota Mitsumoto·Kyohei Takae
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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.

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Kota Mitsumoto, Kyohei Takae. 2023-08-09. Adsorption superlattice stabilized by elastic interactions in a soft porous crystal. https://doi.org/10.1103/physrevresearch.6.l012029

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