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Creators/Authors contains: "Bailey, Owen"

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  1. Global access to drinking water shrinks yearly, yet the atmosphere—our largest sustainable water source—remains largely untapped. Metal–organic frameworks (MOFs), a tunable class of crystalline porous materials, are promising candidates for atmospheric water harvesting. The channel-pore MOF STA-16(Co) stands out due to its robust phosphonate-based structure, which provides high stability and excellent water uptake. However, STA-16(Co) suffers from slow water uptake kinetics. To address this limitation, we introduced defects into STA-16(Co) by selectively removing linkers through treatment with nitrilotriacetic acid, significantly improving water diffusion kinetics. The defective MOFs demonstrate markedly faster water saturation rates—delivering ~50% more water in a 40-minute cycle—while maintaining the same uptake capacity and isothermal behavior as pristine STA-16(Co). Solid-state nuclear magnetic resonance analysis confirms that localized defects enhance efficiency without altering the overall pore geometry. This study presents a straightforward and generalizable strategy to optimize water sorption in channel-based MOFs. 
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    Free, publicly-accessible full text available June 2, 2026
  2. Structural distortions such as cation off-centering are frustrated in the pyrochlore structure due to the triangular arrangement of cations on the pyrochlore lattice. This geometric constraint inhibits a transition from a paraelectric to ferroelectric phase in majority of pyrochlore oxide materials. Few pyrochlore materials can overcome this frustration and exhibit polar crystal structures, and unraveling the origin of such leads to the understanding of polarity in complex materials. Herein we hypothesize that frustration on the pyrochlore lattice can be relieved through A -site doping with rare earth cations that do not possess stereochemically active lone pairs. To assess if frustration is relieved, we have analyzed cation off-centering in various Bi 2−x RE xTi 2 O 7 ( RE = Y 3+ , Ho 3+ ) pyrochlores through neutron and X-ray total scattering. Motivated by known distortions from the pyrochlore literature, we present our findings that most samples show local distortions similar to the β-cristobalite structure. We additionally comment on the complexity of factors that play a role in the structural behavior, including cation size, bond valence, electronic structure, and magnetoelectronic interactions. We posit that the addition of magnetic cations on the pyrochlore lattice may play a role in an extension of the real-space correlation length of electric dipoles in the Bi-Ho series, and offer considerations for driving long-range polarity on the pyrochlore lattice. 
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