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Instruments / Technical Area	Publication Details	Published	Actions
B18-Core EXAFS	Enhanced ion intercalation in NixK1-2xTiNbO5 enabled by redox active Ni exchange for potassium-ion batteries Charlie A. F. Nason , Ajay Piriya Vijaya Kumar Saroja , Wanjun Ren , Yingkangzi Mei , Asma Sarguroh , Yupei Han , Yi Lu , Jamie A. Gould , Tim I. Hyde , Veronica Celorrio , Gopinathan Sankar , Yang Xu Chemical Science 5 DOI: 10.1039/D5SC04984A Diamond Proposal Number(s): [39009, 39790] Open Access Show Abstract ▼ Abstract: The ultimate goal of potassium-ion batteries (KIBs) is to become a serious competitor to lithium-ion batteries (LIBs). Achieving this requires the development of high energy density negative electrode materials, with transition metal oxides emerging as the most promising candidates. However, despite their high theoretical capacities, most transition metal oxides still struggle to achieve high performance, often necessitating substantial nanostructuring. Ion-exchange presents a facile and effective process for enhancing material properties, yet the demonstration of the exchanged ions undergoing redox activity has not been previously reported for KIBs. Herein, this work reports Ni0.25K0.5TiNbO5, synthesized through the ion-exchange between K+ and Ni2+, as a novel negative electrode material for KIBs. The ion-exchanged material achieves a specific capacity of 304 mAh g−1 in the first cycle and 162 mAh g−1 after 10 cycles, corresponding to a 240% and 156% increase compared to the pristine, unexchanged KTiNbO5 at the same cycle numbers. The structure–performance relationship was investigated in detail, shedding light on the previously unknown relationships between the level of hydration, degree of exchange and the performance of ion-exchanged materials. Furthermore, the exchanged Ni was demonstrated to be reversibly redox active, contributing to the observed capacity and representing a first for ion-exchanged materials in the KIB literature.	Sep 2025
I19-Small Molecule Single Crystal Diffraction	Selective gas uptake and rotational dynamics in a (3,24)-connected metal–organic framework material William J. F. Trenholme , Daniil I. Kolokolov , Michelle Bound , Stephen P. Argent , Jamie A. Gould , Jiangnan Li , Sarah A. Barnett , Alexander J. Blake , Alexander G. Stepanov , Elena Besley , Timothy L. Easun , Sihai Yang , Martin Schroeder Journal Of The American Chemical Society 71 DOI: 10.1021/jacs.0c11202 Show Abstract ▼ Abstract: The desolvated (3,24)-connected metal–organic framework (MOF) material, MFM-160a, [Cu3(L)(H2O)3] [H6L = 1,3,5-triazine-2,4,6-tris(aminophenyl-4-isophthalic acid)], exhibits excellent high-pressure uptake of CO2 (110 wt% at 20 bar, 298 K) and highly selective separation of C2 hydrocarbons from CH4 at 1 bar pressure. Henry’s law selectivities of 79:1 for C2H2:CH4 and 70:1 for C2H4:CH4 at 298 K are observed, consistent with ideal adsorption solution theory (IAST) predictions. Significantly, MFM-160a shows a selectivity of 16:1 for C2H2:CO2. Solid-state 2H NMR spectroscopic studies on partially deuterated MFM-160-d12 confirm an ultra-low barrier (∼2 kJ mol–1) to rotation of the phenyl group in the activated MOF and a rotation rate 5 orders of magnitude slower than usually observed for solid-state materials (1.4 × 106 Hz cf. 1011–1013 Hz). Upon introduction of CO2 or C2H2 into desolvated MFM-160a, this rate of rotation was found to increase with increasing gas pressure, a phenomenon attributed to the weakening of an intramolecular hydrogen bond in the triazine-containing linker upon gas binding. DFT calculations of binding energies and interactions of CO2 and C2H2 around the triazine core are entirely consistent with the 2H NMR spectroscopic observations.	Feb 2021

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