Pore engineering is commonly used to alter the properties of metal-organic frameworks. This is achieved by incorporating different linker molecules () into the structure, generating isoreticular frameworks. CPO-27, also named MOF-74, is a prototypical material for this approach, offering the potential to modify the size of its one-dimensional pore channels and the hydrophobicity of pore walls using various linker ligands during synthesis.
View Article and Find Full Text PDFJ Phys Condens Matter
September 2024
In this paper we investigate the interconnection between vacancy-ordered phases and vacancy self-diffusion. Here, we investigate three ordered phases on a square lattice with energetics defined by two separate Hamiltonians. In the first case we used a classical antiferromagnetic Ising model Hamiltonian in order to generate a 'checkerboard' type ordered structure.
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