Outputs (39)

Spin-state dependent pressure responsiveness of Fe(<scp>ii</scp>)-based triazolate metal–organic frameworks (2024)
Journal Article
Kronawitter, S. M., Röβ-Ohlenroth, R., Hallweger, S. A., Hirrle, M., Krug von Nidda, H., Luxenhofer, T., …Kieslich, G. (2024). Spin-state dependent pressure responsiveness of Fe(ii)-based triazolate metal–organic frameworks. Journal of Materials Chemistry C, https://doi.org/10.1039/d4tc00360h

Fe(II)-containing Metal–Organic Frameworks (MOFs) that exhibit temperature-induced spin-crossover (SCO) are candidate materials in the field of sensing, barocalorics, and data storage. Their responsiveness towards pressure is therefore of practical i... Read More about Spin-state dependent pressure responsiveness of Fe(<scp>ii</scp>)-based triazolate metal–organic frameworks.

Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds (2024)
Journal Article
Flinn, B. T., Rance, G. A., Cull, W. J., Cardillo-Zallo, I., Pitcairn, J., Cliffe, M. J., …Khlobystov, A. N. (2024). Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds. ACS Nano, 18(9), 7148–7160. https://doi.org/10.1021/acsnano.3c11820

Room-temperature magnetically switchable materials play a vital role in current and upcoming quantum technologies, such as spintronics, molecular switches, and data storage devices. The increasing miniaturization of device architectures produces a ne... Read More about Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds.

How Reproducible is the Synthesis of Zr–Porphyrin Metal–Organic Frameworks? An Interlaboratory Study (2024)
Journal Article
Boström, H. L. B., Emmerling, S., Heck, F., Koschnick, C., Jones, A. J., Cliffe, M. J., …Lotsch, B. V. (2024). How Reproducible is the Synthesis of Zr–Porphyrin Metal–Organic Frameworks? An Interlaboratory Study. Advanced Materials, Article 2304832. https://doi.org/10.1002/adma.202304832

Metal–organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same buil... Read More about How Reproducible is the Synthesis of Zr–Porphyrin Metal–Organic Frameworks? An Interlaboratory Study.

Bi2Se3 interlayer treatments affecting the Y3Fe5O12 (YIG) platinum spin Seebeck effect (2023)
Journal Article
Hu, Y., Weir, M. P., Pereira, H. J., Amin, O. J., Pitcairn, J., Cliffe, M. J., …Woodward, S. (2023). Bi2Se3 interlayer treatments affecting the Y3Fe5O12 (YIG) platinum spin Seebeck effect. Applied Physics Letters, 123(22), Article 223902. https://doi.org/10.1063/5.0157778

In this work, we present a method to enhance the longitudinal spin Seebeck effect at platinum/yttrium iron garnet (Pt/YIG) interfaces. The introduction of a partial interlayer of bismuth selenide (Bi2Se3, 2.5% surface coverage) interfaces significant... Read More about Bi2Se3 interlayer treatments affecting the Y3Fe5O12 (YIG) platinum spin Seebeck effect.

PASCal Python: A Principal Axis Strain Calculator (2023)
Journal Article
Lertkiattrakul, M., Evans, M. L., & Cliffe, M. J. (2023). PASCal Python: A Principal Axis Strain Calculator. The Journal of Open Source Software, 8(90), Article 5556. https://doi.org/10.21105/joss.05556

The response of crystalline materials to external stimuli: whether temperature, pressure or electrochemical potential, is critical for both our understanding of materials and their use. This information can be readily obtained through in-situ diffrac... Read More about PASCal Python: A Principal Axis Strain Calculator.

High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2 (2023)
Journal Article
Geers, M., Jarvis, D. M., Liu, C., Saxena, S. S., Pitcairn, J., Myatt, E., …Cliffe, M. J. (2023). High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2. Physical Review B, 108(14), Article 144439. https://doi.org/10.1103/PhysRevB.108.144439

Two-dimensional materials offer a unique range of magnetic, electronic, and mechanical properties which can be controlled by external stimuli. Pressure is a particularly important stimulus, as it can be achieved readily and can produce large response... Read More about High-pressure behavior of the magnetic van der Waals molecular framework Ni(NCS) 2.

Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid (2023)
Journal Article
Flinn, B. T., Radu, V., Fay, M. W., Tyler, A. J., Pitcairn, J., Cliffe, M. J., …Khlobystov, A. N. (2023). Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid. Nanoscale Advances, 2023(23), 6423-6434. https://doi.org/10.1039/d3na00155e

Spin-active nanomaterials play a vital role in current and upcoming quantum technologies, such as spintronics, data storage and computing. To advance the design and application of these materials, methods to link size, shape, structure, and chemical... Read More about Nitrogen vacancy defects in single-particle nanodiamonds sense paramagnetic transition metal spin noise from nanoparticles on a transmission electron microscopy grid.

Modulated self-assembly of hcp topology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker (2023)
Journal Article
Boyadjieva, S. S., Firth, F. C., Alizadeh Kiapi, M. R., Fairen-Jimenez, D., Ling, S., Cliffe, M. J., & Forgan, R. S. (2023). Modulated self-assembly of hcp topology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker. CrystEngComm, 25(14), 2119-2124. https://doi.org/10.1039/d2ce01529c

Careful control of synthetic conditions can enhance the structural diversity of metal–organic frameworks (MOFs) within individual metal-linker combinations. Herein, we show that hcp topology MOFs of both Zr(iv) and Hf(iv), linked by the extended (eth... Read More about Modulated self-assembly of hcp topology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker.

Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3 (2023)
Journal Article
Geers, M., Lee, J. Y., Ling, S., Fabelo, O., Cañadillas-Delgado, L., & Cliffe, M. J. (2023). Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3. Chemical Science, https://doi.org/10.1039/d2sc06861c

AMX3 compounds are structurally diverse, a notable example being the post-perovskite structure which adopts a two-dimensional framework with corner- and edge-sharing octahedra. Few molecular post-perovskites are known and of these, none have reported... Read More about Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)3.

One-dimensional alignment of defects in a flexible metal-organic framework (2023)
Journal Article
Fu, Y., Forse, A. C., Kang, Z., Cliffe, M. J., Cao, W., Yin, J., …Kong, X. (2023). One-dimensional alignment of defects in a flexible metal-organic framework. Science Advances, 9(6), Article eade6975. https://doi.org/10.1126/sciadv.ade6975

Crystalline materials are often considered to have rigid periodic lattices, while soft materials are associated with flexibility and nonperiodicity. The continuous evolution of metal-organic frameworks (MOFs) has erased the boundaries between these t... Read More about One-dimensional alignment of defects in a flexible metal-organic framework.

Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase (2023)
Journal Article
Pitcairn, J., Iliceto, A., Cañadillas-Delgado, L., Fabelo, O., Liu, C., Balz, C., …Cliffe, M. J. (2023). Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase. Journal of the American Chemical Society, 145(3), 1783-1792. https://doi.org/10.1021/jacs.2c10916

Metal-organic magnets (MOMs), modular magnetic materials where metal atoms are connected by organic linkers, are promising candidates for next-generation quantum technologies. MOMs readily form low-dimensional structures and so are ideal systems to r... Read More about Low-Dimensional Metal-Organic Magnets as a Route toward the S = 2 Haldane Phase.

Slow magnetic relaxation in Fe(ii) m-terphenyl complexes (2022)
Journal Article
Valentine, A. J., Geer, A. M., Blundell, T. J., Tovey, W., Cliffe, M. J., Davies, E. S., …Kays, D. L. (2022). Slow magnetic relaxation in Fe(ii) m-terphenyl complexes. Dalton Transactions, 51(47), 18118-18126. https://doi.org/10.1039/d2dt03531f

Two-coordinate transition metal complexes are exciting candidates for single-molecule magnets (SMMs) because their highly axial coordination environments lead to sizeable magnetic anisotropy. We report a series of five structurally related two-coordi... Read More about Slow magnetic relaxation in Fe(ii) m-terphenyl complexes.

Tethering Effects in Oligomer-Based Metal-Organic Frameworks (2022)
Journal Article
Dodson, R. A., Park, J., Kim, J., Cliffe, M. J., & Cohen, S. M. (2022). Tethering Effects in Oligomer-Based Metal-Organic Frameworks. Inorganic Chemistry, 61(31), 12063-12488. https://doi.org/10.1021/acs.inorgchem.2c01567

Metal-organic frameworks (MOFs) can be constructed using conventional molecular linkers or polymeric linkers (polyMOFs), but the relationship and relative properties of these related materials remain understudied. As an intermediate between these two... Read More about Tethering Effects in Oligomer-Based Metal-Organic Frameworks.

Magnetic order in a metal thiocyanate perovskite-analogue (2022)
Journal Article
Cliffe, M. J., Fabelo, O., & Cañadillas-Delgado, L. (2022). Magnetic order in a metal thiocyanate perovskite-analogue. CrystEngComm, https://doi.org/10.1039/d2ce00649a

Metal thiocyanate perovskite-analogues are a growing class of materials, but although they contain paramagnetic cations there have been no reports of their magnetic properties. Due to the large separations between the paramagnetic cations, with a sho... Read More about Magnetic order in a metal thiocyanate perovskite-analogue.

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., …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., …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.

Direct imaging of correlated defect nanodomains in a metal-organic framework (2020)
Journal Article
Johnstone, D. N., Firth, F. C., Grey, C. P., Midgley, P. A., Cliffe, M. J., & Collins, S. M. (2020). Direct imaging of correlated defect nanodomains in a metal-organic framework. Journal of the American Chemical Society, 142(30), 13081–13089. https://doi.org/10.1021/jacs.0c04468

Defect engineering can enhance key properties of metal-organic frameworks (MOFs). Tailoring the distribution of defects, for example in correlated nanodomains, requires characterization across length scales. However, a critical na-noscale characteriz... Read More about Direct imaging of correlated defect nanodomains in a metal-organic framework.

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., …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., …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 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 ?-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.

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 ?-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.

Engineering new defective phases of UiO family metal-organic frameworks with water (2019)
Journal Article
Firth, F. C. N., Cliffe, M. J., Vulpe, D., Aragones-Anglada, M., Moghadam, P. Z., Fairen-Jimenez, D., …Grey, C. P. (2019). Engineering new defective phases of UiO family metal-organic frameworks with water. Journal of Materials Chemistry A, 7(13), 7459-7469. https://doi.org/10.1039/C8TA10682G

© The Royal Society of Chemistry. As defects significantly affect the properties of metal-organic frameworks (MOFs)—from changing their mechanical properties to enhancing their catalytic ability—obtaining synthetic control over defects is essential t... Read More about Engineering new defective phases of UiO family metal-organic frameworks with water.

Strongly coloured thiocyanate frameworks with perovskite-analogue structures (2018)
Journal Article
Cliffe, M. J., Keyzer, E. N., Dunstan, M. T., Ahmad, S., De Volder, M. F. L., Deschler, F., …Grey, C. P. (2019). Strongly coloured thiocyanate frameworks with perovskite-analogue structures. Chemical Science, 10(3), 793-801. https://doi.org/10.1039/c8sc04082f

We report the first examples of thiocyanate-based analogues of the cyanide Prussian Blue compounds, MIII[Bi(SCN)6], M= Fe, Cr, Sc. These compounds adopt the primitive cubic pcu topology and show strict cation order. Optical absorption measurements sho... Read More about Strongly coloured thiocyanate frameworks with perovskite-analogue structures.

Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics (2018)
Journal Article
Deringer, V. L., Bernstein, N., Bartók, A. P., Cliffe, M. J., Kerber, R. N., Marbella, L. E., …Csányi, G. (2018). Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics. Journal of Physical Chemistry Letters, 9(11), 2879-2885. https://doi.org/10.1021/acs.jpclett.8b00902

Amorphous silicon (a-Si) is a widely studied noncrystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show that accurate structural models of a-Si can be obtained using a machine-learning-based intera... Read More about Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics.

Low-dimensional quantum magnetism in Cu(NCS)2: a molecular framework material (2018)
Journal Article
Cliffe, M. J., Lee, J., Paddison, J. A., Schott, S., Mukherjee, P., Gaultois, M. W., …Grey, C. P. (2018). Low-dimensional quantum magnetism in Cu(NCS)2: a molecular framework material. Physical Review B, 97(14), https://doi.org/10.1103/physrevb.97.144421

Low-dimensional magnetic materials with spin-12 moments can host a range of exotic magnetic phenomena due to the intrinsic importance of quantum fluctuations to their behavior. Here, we report the structure, magnetic structure and magnetic properties... Read More about Low-dimensional quantum magnetism in Cu(NCS)2: a molecular framework material.

Structural simplicity as a restraint on the structure of amorphous silicon (2017)
Journal Article
Cliffe, M. J., Bartók, A. P., Kerber, R. N., Grey, C. P., Csányi, G., & Goodwin, A. L. (2017). Structural simplicity as a restraint on the structure of amorphous silicon. Physical Review B, 95(22), Article 224108. https://doi.org/10.1103/physrevb.95.224108

Understanding the structural origins of the properties of amorphous materials remains one of the most important challenges in structural science. In this study we demonstrate that local 'structural simplicity', embodied by the degree to which atomic... Read More about Structural simplicity as a restraint on the structure of amorphous silicon.

Metal–organic nanosheets formed via defect-mediated transformation of a hafnium metal–organic framework (2017)
Journal Article
Cliffe, M. J., Castillo-Martínez, E., Wu, Y., Lee, J., Forse, A. C., Firth, F. C. N., …Grey, C. P. (2017). Metal–organic nanosheets formed via defect-mediated transformation of a hafnium metal–organic framework. Journal of the American Chemical Society, 139(15), 5397-5404. https://doi.org/10.1021/jacs.7b00106

We report a hafnium-containing MOF, hcp UiO-67(Hf), which is a ligand-deficient layered analogue of the face-centered cubic fcu UiO-67(Hf). hcp UiO-67 accommodates its lower ligand:metal ratio compared to fcu UiO-67 through a new structural mechanism... Read More about Metal–organic nanosheets formed via defect-mediated transformation of a hafnium metal–organic framework.

Encoding complexity within supramolecular analogues of frustrated magnets (2016)
Journal Article
Cairns, A. B., Cliffe, M. J., Paddison, J. A., Daisenberger, D., Tucker, M. G., Coudert, F. X., & Goodwin, A. L. (2016). Encoding complexity within supramolecular analogues of frustrated magnets. Nature Chemistry, 8(5), 442-447. https://doi.org/10.1038/nchem.2462

© 2016 Macmillan Publishers Limited. All rights reserved. The solid phases of gold(I) and/or silver(I) cyanides are supramolecular assemblies of inorganic polymer chains in which the key structural degrees of freedom - namely, the relative vertical s... Read More about Encoding complexity within supramolecular analogues of frustrated magnets.

A Breathing Zirconium Metal-Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation (2016)
Journal Article
Bueken, B., Vermoortele, F., Cliffe, M. J., Wharmby, M. T., Foucher, D., Wieme, J., …De Vos, D. (2016). A Breathing Zirconium Metal-Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation. Chemistry - A European Journal, 22(10), 3264-3267. https://doi.org/10.1002/chem.201600330

The isoreticular analogue of the metal–organic framework UiO‐66(Zr), synthesized with the flexible trans‐1,4‐cyclohexanedicarboxylic acid as linker, shows a peculiar breathing behavior by reversibly losing long‐range crystalline order upon evacuation... Read More about A Breathing Zirconium Metal-Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation.

Design of crystal-like aperiodic solids with selective disorder–phonon coupling (2016)
Journal Article
Overy, A. R., Cairns, A. B., Cliffe, M. J., Simonov, A., Tucker, M. G., & Goodwin, A. L. (2016). Design of crystal-like aperiodic solids with selective disorder–phonon coupling. Nature Communications, 7, Article 10445. https://doi.org/10.1038/ncomms10445

Functional materials design normally focuses on structurally ordered systems because disorder is considered detrimental to many functional properties. Here we challenge this paradigm by showing that particular types of strongly correlated disorder ca... Read More about Design of crystal-like aperiodic solids with selective disorder–phonon coupling.

Glass formation via structural fragmentation of a 2D coordination network (2015)
Journal Article
Umeyama, D., Funnell, N. P., Cliffe, M. J., Hill, J. A., Goodwin, A. L., Hijikata, Y., …Kitagawa, S. (2015). Glass formation via structural fragmentation of a 2D coordination network. Chemical Communications, 51(64), 12728-12731. https://doi.org/10.1039/c5cc04626b

The structure of a glass obtained by the melt quenching of a two-dimensional (2D) coordination network was examined. X-ray analyses disclosed a 2D-to-0D structural transformation before and after glass formation. The mechanism is unique to coordinati... Read More about Glass formation via structural fragmentation of a 2D coordination network.

Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework (2015)
Journal Article
Cliffe, M. J., Hill, J. A., Murray, C. A., Coudert, F., & Goodwin, A. L. (2015). Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework. Physical Chemistry Chemical Physics, 17(17), 11586-11592. https://doi.org/10.1039/c5cp01307k

Thermally-densified hafnium terephthalate UiO-66(Hf) is shown to exhibit the strongest isotropic negative thermal expansion (NTE) effect yet reported for a metal–organic framework (MOF). Incorporation of correlated vacancy defects within the framewor... Read More about Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal–organic framework.

Correlated defect nanoregions in a metal-organic framework (2014)
Journal Article
Cliffe, M. J., Wan, W., Zou, X., Chater, P. A., Kleppe, A. K., Tucker, M. G., …Goodwin, A. L. (2014). Correlated defect nanoregions in a metal-organic framework. Nature Communications, 5, Article 4176. https://doi.org/10.1038/ncomms5176

Throughout much of condensed matter science, correlated disorder is a key to material function. While structural and compositional defects are known to exist within a variety of metal-organic frameworks (MOFs), the prevailing understanding is that th... Read More about Correlated defect nanoregions in a metal-organic framework.

Negative area compressibility in silver(i) tricyanomethanide (2013)
Journal Article
Hodgson, S. A., Adamson, J., Hunt, S. J., Cliffe, M. J., Cairns, A. B., Thompson, A. L., …Goodwin, A. L. (2014). Negative area compressibility in silver(i) tricyanomethanide. Chemical Communications, 2014(40), 5264-5266. https://doi.org/10.1039/c3cc47032f

The metal–organic framework copper(I) tricyanomethanide, Cu(tcm), undergoes a ferroelastic transition on cooling below Tf = 240 K. Thermal expansion measurements reveal an order-of-magnitude variation in framework flexibility across Tf. The low-tempe... Read More about Negative area compressibility in silver(i) tricyanomethanide.

PASCal: a principal axis strain calculator for thermal expansion and compressibility determination (2012)
Journal Article
Cliffe, M. J., & Goodwin, A. L. (2012). PASCal: a principal axis strain calculator for thermal expansion and compressibility determination. Journal of Applied Crystallography, 45(6), 1321-1329. https://doi.org/10.1107/s0021889812043026

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and... Read More about PASCal: a principal axis strain calculator for thermal expansion and compressibility determination.