Outputs (39)

A high-throughput, solvent free method for dispersing metal atoms directly onto supports (2021)
Journal Article
Kohlrausch, E. C., Centurion, H. A., Lodge, R. W., Luo, X., Slater, T., Santos, M. J. L., Ling, S., Mastelaro, V. R., Cliffe, M. J., Goncalves, R. V., & Alves Fernandes, J. (2021). A high-throughput, solvent free method for dispersing metal atoms directly onto supports. Journal of Materials Chemistry A, 9(47), 26676-26679. https://doi.org/10.1039/d1ta08372d

Atomically-dispersed metal catalysts (ADMCs) on surfaces have demonstrated high activity and selectivity in many catalytic reactions. However, dispersing and stabilising individual atoms in support materials in an atom/energy-efficient scalable way s... Read More about A high-throughput, solvent free method for dispersing metal atoms directly onto supports.

Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis (2021)
Journal Article
Firth, F. C., Gaultois, M. W., Wu, Y., Stratford, J. M., Keeble, D. S., Grey, C. P., & Cliffe, M. J. (2021). Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis. Journal of the American Chemical Society, 143(47), 19668-19683. https://doi.org/10.1021/jacs.1c06990

The structures of Zr and Hf metal-organic frameworks (MOFs) are very sensitive to small changes in synthetic conditions. One key difference affecting the structure of UiO MOF phases is the shape and nuclearity of Zr or Hf metal clusters acting as nod... Read More about Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis.

Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} (2021)
Journal Article
Lee, J. Y., Ling, S., Argent, S., Senn, M., Cañadillas-Delgado, L., & Cliffe, M. (2021). Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}. Chemical Science, 12(10), 3516-3525. https://doi.org/10.1039/d0sc06619b

We report four new A-site vacancy ordered thiocyanate double double perovskites, A1–x{Ni[Bi(SCN)6](1–x)/3}, A = K+, NH4+, CH3(NH3)+ (MeNH3+) and C(NH2)3+ (Gua+), including the first examples of thiocyanate perovskites containing organic A-site cation... Read More about Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}.

Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2 (2020)
Journal Article
Bassey, E. N., Paddison, J. A., Keyzer, E. N., Lee, J., Manuel, P., da Silva, I., Dutton, S. E., Grey, C. P., & Cliffe, M. J. (2020). Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2. Inorganic Chemistry, 59(16), 11627–11639. https://doi.org/10.1021/acs.inorgchem.0c01478

Understanding the effect of chemical composition on the strength of magnetic interactions is key to the design of magnets with high operating temperatures. The magnetic divalent first-row transition metal (TM) thiocyanates are a class of chemically s... Read More about Strengthening the Magnetic Interactions in Pseudobinary First-Row Transition Metal Thiocyanates, M(NCS)2.

The Structures of Ordered Defects in Thiocyanate Analogues of Prussian Blue (2020)
Journal Article
Cliffe, M., Keyzer, E., Bond, A., Astle, M. A., & Grey, C. (2020). The Structures of Ordered Defects in Thiocyanate Analogues of Prussian Blue. Chemical Science, 11(17), 4430-4438. https://doi.org/10.1039/D0SC01246G

We report the structures of six new divalent transition metal hexathiocyanatobismuthate frame-
works with the generic formula {M[Bi(SCN)6]2+x }x− {guest}x+, M = Mn, Co, Ni and Zn. These 3 frameworks are defective analogues of the perovskite-derived... Read More about The Structures of Ordered Defects in Thiocyanate Analogues of Prussian Blue.

SquidLab—A user-friendly program for background subtraction and fitting of magnetization data (2020)
Journal Article
Coak, M. J., Liu, C., Jarvis, D. M., Park, S., Cliffe, M. J., & Goddard, P. A. (2020). SquidLab—A user-friendly program for background subtraction and fitting of magnetization data. Review of Scientific Instruments, 91(2), Article 023901. https://doi.org/10.1063/1.5137820

We present an open-source program free to download for academic use with a full user-friendly graphical interface for performing flexible and robust background subtraction and dipole fitting on magnetization data. For magnetic samples with small mome... Read More about SquidLab—A user-friendly program for background subtraction and fitting of magnetization data.

Ionic and Electronic Conduction in TiNb2O7 (2019)
Journal Article
Grey, C. P., Griffith, K. J., Seymour, I. D., Hope, M. A., Butala, M. M., Lamontagne, L. K., Preefer, M. B., Koçer, C. P., Henkelman, G., Morris, A. J., Cliffe, M. J., & Dutton, S. E. (2019). Ionic and Electronic Conduction in TiNb2O7. Journal of the American Chemical Society, 141(42), 16706–16725. https://doi.org/10.1021/jacs.9b06669

TiNb2O7 is a Wadsley–Roth phase with a crystallographic shear structure and is a promising candidate for high-rate lithium ion energy storage. The fundamental aspects of the lithium insertion mechanism and conduction in TiNb2O7, however, are not well... Read More about Ionic and Electronic Conduction in TiNb2O7.

Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies (2019)
Journal Article
Murphy, A. S., Killalea, C. E., Humphreys, J., Hume, P. A., Cliffe, M. J., Murray, G. J., Davies, E. S., Lewis, W., & Amabilino, D. B. (2019). Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies. ChemPlusChem, 84(9), 1413-1422. https://doi.org/10.1002/cplu.201900286

A series of symmetrically bis‐4‐methoxybenzyl (4MB) N‐substituted 1,4‐diketopyrrolo[3,4‐c]pyrrole (DPP) derivatives have been synthesized. The 4MB unit makes the DPP core soluble, and shows subtle modification of up to 0.2 eV in ground and excited st... Read More about Ground and Excited States of Bis‐4‐Methoxybenzyl‐Substituted Diketopyrrolopyrroles: Spectroscopic and Electrochemical Studies.

Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2 (2019)
Journal Article
Jones, M., Reeves, P., Seymour, I. D., Cliffe, M. J., Dutton, S. E., & Grey, C. (2019). Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2. Chemical Communications, 55(61), 9027-9030. https://doi.org/10.1039/C9CC04250D

Cation order, with a local structure related to γ-LiFeO2, is observed in the nominally cation-disordered Li-excess rocksalt Li1.25Nb0.25Mn0.5O2via X-ray diffraction, neutron pair distribution function analysis, magnetic susceptibility and NMR spectro... Read More about Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2.

Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li1.25Nb0.25Mn0.5O2 (2019)
Journal Article
Jones, M. A., Reeves, P. J., Seymour, I. D., Cliffe, M. J., Dutton, S. E., & Grey, C. P. (2019). Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li1.25Nb0.25Mn0.5O2. Chemical Communications, 55(61), 9027-9030. https://doi.org/10.1039/c9cc04250d

Cation order, with a local structure related to γ-LiFeO2, is observed in the nominally cation-disordered Li-excess rocksalt Li1.25Nb0.25Mn0.5O2via X-ray diffraction, neutron pair distribution function analysis, magnetic susceptibility and NMR spectro... Read More about Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li1.25Nb0.25Mn0.5O2.