Adaptive Molecular Weaving for Efficient Isotope Separations

• • PWPN-1 achieves a D2O retention time of 686 min g−1 versus 223 min g−1 for H2O, a 3.1-fold difference enabling efficient breakthrough separation under ambient conditions. • • The material is scalable to 100-gram synthesis with ~95% yield, demonstrating practical manufacturability for industrial deployment. • • D2O binding energy is 1–2 kJ mol−1 stronger than H2O, as confirmed by path-integral MD and DFT, providing a mechanistic basis for selectivity. • • The framework exhibits reversible contraction along the c-axis upon activation, with stable performance over multiple adsorption-desorption cycles, ensuring operational longevity.