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Instruments / Technical Area	Publication Details	Published	Actions
B18-Core EXAFS I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction	Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li Hualei Sun , Daniel Woodruff , Simon Cassidy , Genevieve M. Allcroft , Stefan Sedlmaier , Amber Thompson , Paul Bingham , Susan D. Forder , Simon Cartenet , Nicolas Mary , Silvia Ramos , Francesca Foronda , Benjamin H. Williams , Xiaodong Li , Stephen J. Blundell , Simon J Clarke Inorganic Chemistry 54 (4) DOI: 10.1021/ic5028702 Diamond Proposal Number(s): [9697, 9981, 11061] Open Access Show Abstract ▼ Abstract: Hydrothermal synthesis is described of layered lithium iron selenide hydroxides Li1xFex(OH)Fe1ySe (x approx. 0.2; 0.02 < y < 0.15) with a wide range of iron site vacancy concentrations in the iron selenide layers. This iron vacancy concentration is revealed as the only significant compositional variable and as the key parameter controlling the crystal structure and the electronic properties. Single crystal X-ray diffraction, neutron powder diffraction, and X-ray absorption spectroscopy measurements are used to demonstrate that superconductivity at temperatures as high as 40 K is observed in the hydrothermally synthesized samples when the iron vacancy concentration is low (y < 0.05) and when the iron oxidation state is reduced slightly below +2, while samples with a higher vacancy concentration and a correspondingly higher iron oxidation state are not superconducting. The importance of combining a low iron oxidation state with a low vacancy concentration in the iron selenide layers is emphasized by the demonstration that reductive postsynthetic lithiation of the samples turns on superconductivity with critical temperatures exceeding 40 K by displacing iron atoms from the Li1xFex(OH) reservoir layer to fill vacancies in the selenide layer.	Jan 2015

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B18-Core EXAFS
I11-High Resolution Powder Diffraction
I19-Small Molecule Single Crystal Diffraction

Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li