All Publications

  • Using X-ray free electron lasers to explore extreme states under quasi-static compression NATURE COMMUNICATIONS Husband, R. J., McWilliams, R., Frost, M., Konopkova, Z. 2026; 17 (1)

    View details for DOI 10.1038/s41467-026-77171-2

    View details for Web of Science ID 001866961400006

  • Ultrafast X-ray Pump-Probe Investigation of the Formation Dynamics of SiV Centers in Diamond. Journal of the American Chemical Society Han, M., Celeste, A., Husband, R., McWilliams, R. S., Konôpková, Z., Strohm, C., Frost, M., Zhang, Y., Appel, K., Baehtz, C., Buakor, K., Goede, S., Graafsma, H., Laurus, T., Sztuk-Dambietz, J., Tang, M., Tzeng, Y. K., Park, S., Chariton, S., Kalkan, B., Kunz, M., Prakapenka, V. B., Mao, W. L., Lin, Y. 2026

    Abstract

    Color centers in diamond are promising single-photon sources for quantum technologies and biomedical applications. We studied the formation dynamics of negatively charged silicon-vacancy (SiV) centers during diamond nucleation using time-resolved X-ray pump-probe experiments at the European X-ray Free-Electron Laser Facility. A silicon-containing adamantane precursor was flash-heated within diamond anvil cells using ultrashort femtosecond X-ray pulses at a 2.2-MHz repetition rate. We captured the structural evolution of diamond with X-ray diffraction patterns separated by 443 ns. Correlating these dynamics with postexperiment SiV photoluminescence reveals, for the first time, a link between ultrafast diamond nucleation and color-center inclusion. SiV formation is contingent on diamond formation and occurs only above pressure-dependent energy-delivery-rate thresholds: 34.3 J·s-1 at 17.8 GPa and 178.4 J·s-1 at 14.4 GPa. Our findings define synthesis windows for generating SiV and reveal a kinetic regime in which diamond nucleates without optically active SiV, informing rate- and pressure-aware strategies for producing various color centers.

    View details for DOI 10.1021/jacs.6c05691

    View details for PubMedID 42312958

  • Demonstration of a diamond anvil cell platform at the Linac Coherent Light Source: capabilities and outlook. Journal of synchrotron radiation Frost, M., Boiadjieva, N., Han, M., Nguyen, Q. L., Wang, M., Bartels, H., Galtier, E., Lee, S. X., Karunadasa, H. I., Dyer, G., Glenzer, S. H., Mao, W. L., Lin, Y., Lee, H. J. 2026

    Abstract

    A novel X-ray free electron laser (XFEL) diffraction setup for use with diamond anvil cells (DACs) at the Linac Coherent Light Source (LCLS) is described. The new diamond window at the Matter at Extreme Conditions (MEC) instrument allows hard X-ray experiments on DACs to be performed in air. The platform is described along with alignment and calibration procedures, and details of the X-ray beam and diagnostics. Example data are presented, including a reversible XFEL-induced phase transition in CsPbI3. The DAC setup was commissioned at MEC, but is applicable to most LCLS instruments where the unique pulse structures available at LCLS offer access to new ultrafast experimental techniques at high pressure.

    View details for DOI 10.1107/S1600577526001608

    View details for PubMedID 41886270

  • Observation of a mixed close-packed structure in superionic water. Nature communications Andriambariarijaona, L., Stevenson, M. G., Bethkenhagen, M., Lecherbourg, L., Lefèvre, F., Vinci, T., Appel, K., Baehtz, C., Benuzzi-Mounaix, A., Bergermann, A., Bespalov, D., Brambrink, E., Cowan, T. E., Cunningham, E., Descamps, A., Cafiso, S. D., Dyer, G., Fletcher, L. B., French, M., Frost, M., Galtier, E., Gleason, A. E., Glenzer, S. H., Glenn, G. D., Guarnelli, Y., Hartley, N. J., He, Z., Herbert, M. L., Hernandez, J. A., Heuser, B., Höppner, H., Humphries, O. S., Husband, R., Khaghani, D., Konôpková, Z., Kuhlke, J., Garcia, A. L., Lee, H. J., Lindqvist, B., Lütgert, J., Lynn, W., Masruri, M., May, P., McBride, E. E., Nagler, B., Nakatsutsumi, M., Naedler, J. P., Ofori-Okai, B. K., Pandolfi, S., Pelka, A., Preston, T. R., Qu, C., Randolph, L., Ranjan, D., Redmer, R., Rips, J., Schoenwaelder, C., Schumacher, S., Schuster, A. K., Schwinkendorf, J. P., Strohm, C., Tang, M., Toncian, T., Voigt, K., Vorberger, J., Zastrau, U., Kraus, D., Ravasio, A. 2025

    Abstract

    The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice's peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to  ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

    View details for DOI 10.1038/s41467-025-67063-2

    View details for PubMedID 41354672

  • Synthesis of Gold Hydride at High Pressure and High Temperature. Angewandte Chemie (International ed. in English) Frost, M., Abraham, K., Goncharov, A. F., McWilliams, R. S., Husband, R. J., Andrzejewski, M., Appel, K., Baehtz, C., Bergermann, A., Brown, D., Bykova, E., Celeste, A., Edmund, E., Hartley, N. J., Glazyrin, K., Graafsma, H., Jaisle, N., Konôpková, Z., Laurus, T., Lin, Y., Massani, B., Schörner, M., Schulze, M., Strohm, C., Tang, M., Younes, Z., Steinle-Neumann, G., Redmer, R., Glenzer, S. H. 2025: e202505811

    Abstract

    Gold is an unreactive metal and its chemical interactions with hydrogen have only recently been explored. Here, we report the formation of gold hydride above 40 GPa and 2200 K in X-ray free electron laser heated diamond anvil cells using various hydrocarbons as hydrogen sources. Above 40 GPa, a hexagonal phase emerges close to the gold melting point, corresponding to a hydride with stoichiometry Au 2 H x ${\rm Au}_2{\rm H}_{ x}$ , with x $x$ increasing from 0 to near 1 with pressure from 40 to 80 GPa. This is a high-temperature phase which reverts to face centered cubic gold on cooling to 295 K. Accompanying DFT-MD simulations are in excellent agreement with experiment and reveal the structure to consist of an hexagonal close packed gold lattice with atomic hydrogen disordered in the interstices. The hydrogen is superionic and exhibits high diffusivity through the crystalline gold lattice. Our results present the first solid-state binary compound of gold and hydrogen.

    View details for DOI 10.1002/anie.202505811

    View details for PubMedID 40755070

  • Implications of high-pressure oxygen hydrates on radiolytic oxygen in Jovian icy moons. Communications chemistry Frost, M., Kuzovnikov, M. A., Dalladay-Simpson, P., Howie, R. T., Loveday, J. S., Ranieri, U., Gregoryanz, E. 2025; 8 (1): 128

    Abstract

    Various icy moons, such as Europa and Ganymede, have thin oxygen atmospheres and exhibit spectral features attributed to oxygen held in their surface ices. The oxygen forms from the radiolysis of water. The interiors of these bodies are subject to high pressures and it is not known how deep into icy moons oxygen-bearing ices can penetrate, or the structures formed by the oxygen-water system at high pressure. Here, we show that oxygen hydrates are stable to 2.6 GPa, allowing them to penetrate deep into icy moons, both above and below proposed sub-surface liquid-water oceans. Similarities between oxygen and hydrogen hydrates indicate potentially enhanced recombination rates, transforming them back into water and offering a resolution to the discrepancy between predicted and measured radiolysis rates. In addition to the low-pressure CS-II clathrate, our results find three high-pressure phases in the oxygen-water system: an ST clathrate, a C0 hydrate, and a filled ice isomorphous with methane hydrate III. This shows a vast storage potential for molecular oxygen in icy moons and indicates that Europa could still be absorbing oxygen into its crustal ice.

    View details for DOI 10.1038/s42004-025-01509-y

    View details for PubMedID 40301649

  • Phase transition kinetics of superionic H<sub>2</sub>O ice phases revealed by Megahertz X-ray free-electron laser-heating experiments NATURE COMMUNICATIONS Husband, R. J., Liermann, H. P., Mchardy, J. D., Mcwilliams, R. S., Goncharov, A. F., Prakapenka, V. B., Edmund, E., Chariton, S., Konopkova, Z., Strohm, C., Sanchez-Valle, C., Frost, M., Andriambariarijaona, L., Appel, K., Baehtz, C., Ball, O. B., Briggs, R., Buchen, J., Cerantola, V., Choi, J., Coleman, A. L., Cynn, H., Dwivedi, A., Graafsma, H., Hwang, H., Koemets, E., Laurus, T., Lee, Y., Li, X., Marquardt, H., Mondal, A., Nakatsutsumi, M., Ninet, S., Pace, E., Pepin, C., Prescher, C., Stern, S., Sztuk-Dambietz, J., Zastrau, U., Mcmahon, M. I. 2024; 15 (1): 8256

    Abstract

    H2O transforms to two forms of superionic (SI) ice at high pressures and temperatures, which contain highly mobile protons within a solid oxygen sublattice. Yet the stability field of both phases remains debated. Here, we present the results of an ultrafast X-ray heating study utilizing MHz pulse trains produced by the European X-ray Free Electron Laser to create high temperature states of H2O, which were probed using X-ray diffraction during dynamic cooling. We confirm an isostructural transition during heating in the 26-69 GPa range, consistent with the formation of SI-bcc. In contrast to prior work, SI-fcc was observed exclusively above ~50 GPa, despite evidence of melting at lower pressures. The absence of SI-fcc in lower pressure runs is attributed to short heating timescales and the pressure-temperature path induced by the pump-probe heating scheme in which H2O was heated above its melting temperature before the observation of quenched crystalline states, based on the earlier theoretical prediction that SI-bcc nucleates more readily from the fluid than SI-fcc. Our results may have implications for the stability of SI phases in ice-rich planets, for example during dynamic freezing, where the preferential crystallization of SI-bcc may result in distinct physical properties across mantle ice layers.

    View details for DOI 10.1038/s41467-024-52505-0

    View details for Web of Science ID 001320768800004

    View details for PubMedID 39313509

    View details for PubMedCentralID PMC11420352

  • Spatiotemporal dynamics of fast electron heating in solid-density matter via XFEL NATURE COMMUNICATIONS Sawada, H., Yabuuchi, T., Higashi, N., Iwasaki, T., Kawasaki, K., Maeda, Y., Izumi, T., Nakagawa, Y., Shigemori, K., Sakawa, Y., Curry, C. B., Frost, M., Iwata, N., Ogitsu, T., Sueda, K., Togashi, T., Hu, S. X., Glenzer, S. H., Kemp, A. J., Ping, Y., Sentoku, Y. 2024; 15 (1): 7528

    Abstract

    High-intensity, short-pulse lasers are crucial for generating energetic electrons that produce high-energy-density (HED) states in matter, offering potential applications in igniting dense fusion fuels for fast ignition laser fusion. High-density targets heated by these electrons exhibit spatially non-uniform and highly transient conditions, which have been challenging to characterize due to limitations in diagnostics that provide simultaneous high spatial and temporal resolution. Here, we employ an X-ray Free Electron Laser (XFEL) to achieve spatiotemporally resolved measurements at sub-micron and femtosecond scales on a solid-density copper foil heated by laser-driven fast electrons. Our X-ray transmission imaging reveals the formation of a solid-density hot plasma localized to the laser spot size, surrounded by Fermi degenerate, warm dense matter within a picosecond, and the energy relaxation occurring within the hot plasma over tens of picoseconds. These results validate 2D particle-in-cell simulations incorporating atomic processes and provide insights into the energy transfer mechanisms beyond current simulation capabilities. This work significantly advances our understanding of rapid fast electron heating and energy relaxation in solid-density matter, serving as a key stepping stone towards efficient high-density plasma heating and furthering the fields of HED science and inertial fusion energy research using intense, short-pulse lasers.

    View details for DOI 10.1038/s41467-024-51084-4

    View details for Web of Science ID 001307964900028

    View details for PubMedID 39237494

    View details for PubMedCentralID PMC11377781

  • Improving the creation of SiV centers in diamond via sub-μs pulsed annealing treatment. Nature communications Tzeng, Y. K., Ke, F., Jia, C., Liu, Y., Park, S., Han, M., Frost, M., Cai, X., Mao, W. L., Ewing, R. C., Cui, Y., Devereaux, T. P., Lin, Y., Chu, S. 2024; 15 (1): 7251

    Abstract

    Silicon-vacancy (SiV) centers in diamond are emerging as promising quantum emitters in applications such as quantum communication and quantum information processing. Here, we demonstrate a sub-μs pulsed annealing treatment that dramatically increases the photoluminescence of SiV centers in diamond. Using a silane-functionalized adamantane precursor and a laser-heated diamond anvil cell, the temperature and energy conditions required to form SiV centers in diamond were mapped out via an optical thermometry system with an accuracy of ±50 K and a 1 μs temporal resolution. Annealing scheme studies reveal that pulsed annealing can obviously minimize the migration of SiV centers out of the diamond lattice, and a 2.5-fold increase in the number of emitting centers was achieved using a series of 200-ns pulses at a 50 kHz repetition rate via acousto-optic modulation. Our study provides a novel pulsed annealing treatment approach to improve the efficiency of the creation of SiV centers in diamond.

    View details for DOI 10.1038/s41467-024-51523-2

    View details for PubMedID 39179592

    View details for PubMedCentralID 7097076

  • X-ray diffraction of metastable structures from supercooled liquid hydrogen. Scientific reports Fletcher, L. B., Levitan, A. L., McBride, E. E., Kim, J. B., Alves, E. P., Aquila, A., Frost, M., Goede, S., King, G., Lane, T. J., Liang, M., MacDonald, M. J., Ofori-Okai, B. K., Schönwälder, C., Sun, P., Hastings, J. B., Boutet, S., Glenzer, S. H. 2024; 14 (1): 17283

    Abstract

    We report time resolved observations of the crystallization from liquid hydrogen, supercooled to temperatures below the melting point, using 11.2 keV X-ray diffraction from the Linac Coherent Light Source (LCLS). Changes to the metastable solid and liquid structure factors have been dynamically measured. This allows for a direct determination of the lowest energy crystal polymorphs, the stacking probabilities, as well as the liquid and solid densities and temperatures. Such measurements provide experimental evidence of an Arrhenius-like growth kinetics along the stacking direction during supercooling.

    View details for DOI 10.1038/s41598-024-67942-6

    View details for PubMedID 39068229

    View details for PubMedCentralID PMC11283507

  • The high-pressure lithium-palladium and lithium-palladium-hydrogen systems. Scientific reports Frost, M., McBride, E. E., Smith, J. S., Glenzer, S. H. 2022; 12 (1): 12341

    Abstract

    The lithium-palladium and lithium-palladium-hydrogen systems are investigated at high pressures at and above room temperature. Two novel lithium-palladium compounds are found below [Formula: see text]. An ambient temperature phase is tentatively assigned as [Formula: see text], with [Formula: see text] Aat 8.64 GPa, isostructural with [Formula: see text]. The other phase occurs at high-temperature and is [Formula: see text], [Formula: see text] Aat 3.88 GPa and 200 [Formula: see text], similar to [Formula: see text], which is also known at high pressure. The presence of hydrogen in the system results in an [Formula: see text] structure with [Formula: see text] Aat 9.74 GPa. This persists up to [Formula: see text], the highest pressure studied. Below [Formula: see text] an fcc phase with a large unit cell, [Formula: see text] Aat 0.39 GPa, is also observed in the presence of hydrogen. On heating the hydrogen containing system at 4 GPa the [Formula: see text] phases persists to the melting point of lithium. In both systems melting the lithium results in the loss of crystalline diffraction from palladium containing phases. This is attributed to dissolution of the palladium in the molten lithium, and on cooling the palladium remains dispersed.

    View details for DOI 10.1038/s41598-022-16694-2

    View details for PubMedID 35853930

  • Ultrafast visualization of incipient plasticity in dynamically compressed matter. Nature communications Mo, M., Tang, M., Chen, Z., Peterson, J. R., Shen, X., Baldwin, J. K., Frost, M., Kozina, M., Reid, A., Wang, Y., E, J., Descamps, A., Ofori-Okai, B. K., Li, R., Luo, S., Wang, X., Glenzer, S. 2022; 13 (1): 1055

    Abstract

    Plasticity is ubiquitous and plays a critical role in material deformation and damage; it inherently involves the atomistic length scale and picosecond time scale. A fundamental understanding of the elastic-plastic deformation transition, in particular, incipient plasticity, has been a grand challenge in high-pressure and high-strain-rate environments, impeded largely by experimental limitations on spatial and temporal resolution. Here, we report femtosecond MeV electron diffraction measurements visualizing the three-dimensional (3D) response of single-crystal aluminum to the ultrafast laser-induced compression. We capture lattice transitioning from a purely elastic to a plastically relaxed state within 5 ps, after reaching an elastic limit of~25 GPa. Our results allow the direct determination of dislocation nucleation and transport that constitute the underlying defect kinetics of incipient plasticity. Large-scale molecular dynamics simulations show good agreement with the experiment and provide an atomic-level description of the dislocation-mediated plasticity.

    View details for DOI 10.1038/s41467-022-28684-z

    View details for PubMedID 35217665

  • High Pressure Brillouin Spectroscopy and X-ray Diffraction of Cerium Dioxide MATERIALS Frost, M., Lazarz, J. D., Levitan, A. L., Prakapenka, V. B., Sun, P., Tkachev, S. N., Yang, H., Glenzer, S. H., Gleason, A. E. 2021; 14 (13)

    Abstract

    Simultaneous high-pressure Brillouin spectroscopy and powder X-ray diffraction of cerium dioxide powders are presented at room temperature to a pressure of 45 GPa. Micro- and nanocrystalline powders are studied and the density, acoustic velocities and elastic moduli determined. In contrast to recent reports of anomalous compressibility and strength in nanocrystalline cerium dioxide, the acoustic velocities are found to be insensitive to grain size and enhanced strength is not observed in nanocrystalline CeO2. Discrepancies in the bulk moduli derived from Brillouin and powder X-ray diffraction studies suggest that the properties of CeO2 are sensitive to the hydrostaticity of its environment. Our Brillouin data give the shear modulus, G0 = 63 (3) GPa, and adiabatic bulk modulus, KS0 = 142 (9) GPa, which is considerably lower than the isothermal bulk modulus, KT0∼ 230 GPa, determined by high-pressure X-ray diffraction experiments.

    View details for DOI 10.3390/ma14133683

    View details for Web of Science ID 000670971500001

    View details for PubMedID 34279253

  • High-Pressure Melt Curve and Phase Diagram of Lithium. Physical review letters Frost, M., Kim, J. B., McBride, E. E., Peterson, J. R., Smith, J. S., Sun, P., Glenzer, S. H. 2019; 123 (6): 065701

    Abstract

    We investigate the phase diagram of lithium at temperatures of 200 to 400 K, to pressures over 100 GPa using x-ray diffraction in diamond anvil cells, covering the region in which the melting curve is disputed. To overcome degradation of the diamond anvils by dense lithium we utilize a rapid compression scheme taking advantage of the high flux available at modern synchrotrons. Our results show the hR1 and cI16 phases to be stable to higher temperature than previously reported. The melting minima of lithium is found to be close to room temperature between 40 and 60 GPa, below which the solid is crystalline. Analysis of the stability fields of the cI16 and oC88 phases suggest the existence of a triple point between these and an undetermined solid phase at 60 GPa between 220 and 255 K.

    View details for DOI 10.1103/PhysRevLett.123.065701

    View details for PubMedID 31491150

  • High-Pressure Melt Curve and Phase Diagram of Lithium PHYSICAL REVIEW LETTERS Frost, M., Kim, J. B., McBride, E. E., Peterson, J., Smith, J. S., Sun, P., Glenzer, S. H. 2019; 123 (6)

    View details for DOI 10.1103/PhysRevLett.123.065701

    View details for Web of Science ID 000479005200004

  • Reactivity of lithium and platinum at elevated densities PHYSICAL REVIEW B Binns, J., Marques, M., Dalladay-Simpson, P., Turnbull, R., Frost, M., Gregoryanz, E., Howie, R. T. 2019; 99 (22)

    View details for DOI 10.1103/PhysRevB.99.220101

    View details for Web of Science ID 000470829400001

  • Unusually complex phase of dense nitrogen at extreme conditions NATURE COMMUNICATIONS Turnbull, R., Hanfland, M., Binns, J., Martinez-Canales, M., Frost, M., Marques, M., Howie, R. T., Gregoryanz, E. 2018; 9: 4717

    Abstract

    Nitrogen exhibits an exceptional polymorphism under extreme conditions, making it unique amongst the elemental diatomics and a valuable testing system for experiment-theory comparison. Despite attracting considerable attention, the structures of many high-pressure nitrogen phases still require unambiguous determination. Here, we report the structure of the elusive high-pressure high-temperature polymorph ι-N2 at 56 GPa and ambient temperature, determined by single crystal X-ray diffraction, and investigate its properties using ab initio simulations. We find that ι-N2 is characterised by an extraordinarily large unit cell containing 48 N2 molecules. Geometry optimisation favours the experimentally determined structure and density functional theory calculations find ι-N2 to have the lowest enthalpy of the molecular nitrogen polymorphs that exist between 30 and 60 GPa. The results demonstrate that very complex structures, similar to those previously only observed in metallic elements, can become energetically favourable in molecular systems at extreme pressures and temperatures.

    View details for DOI 10.1038/s41467-018-07074-4

    View details for Web of Science ID 000449627800012

    View details for PubMedID 30413685

    View details for PubMedCentralID PMC6226474

  • Characterization of defect clusters in ion-irradiated tungsten by X-Ray diffuse scattering JOURNAL OF NUCLEAR MATERIALS Sun, P., Wang, Y., Frost, M., Schoenwaelder, C., Levitan, A. L., Mo, M., Chen, Z., Hastings, J. B., Tynan, G. R., Glenzer, S. H., Heimann, P. 2018; 510: 322–30

    View details for DOI 10.1016/j.jnucmat.2018.07.062

    View details for Web of Science ID 000446065100035

  • Simultaneous 8.2 keV phase-contrast imaging and 24.6 keV X-ray diffraction from shock-compressed matter at the LCLS APPLIED PHYSICS LETTERS Seiboth, F., Fletcher, L. B., McGonegle, D., Anzellini, S., Dresselhaus-Cooper, L. E., Frost, M., Galtier, E., Goede, S., Harmand, M., Lee, H. J., Levitan, A. L., Miyanishi, K., Nagler, B., Nam, I., Ozaki, N., Roedel, M., Schropp, A., Spindloe, C., Sun, P., Wark, J. S., Hastings, J., Glenzer, S. H., McBride, E. E. 2018; 112 (22)

    View details for DOI 10.1063/1.5031907

    View details for Web of Science ID 000433963500013

  • Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling NATURE COMMUNICATIONS Hobday, C. L., Woodall, C. H., Lennox, M. J., Frost, M., Kamenev, K., Duren, T., Morrison, C. A., Moggach, S. A. 2018; 9: 1429

    Abstract

    Some porous crystalline solids change their structure upon guest inclusion. Unlocking the potential of these solids for a wide variety of applications requires full characterisation of the response to adsorption and the underlying framework-guest interactions. Here, we introduce an approach to understanding gas uptake in porous metal-organic frameworks (MOFs) by loading liquefied gases at GPa pressures inside the Zn-based framework ZIF-8. An integrated experimental and computational study using high-pressure crystallography, grand canonical Monte Carlo (GCMC) and periodic DFT simulations has revealed six symmetry-independent adsorption sites within the framework and a transition to a high-pressure phase. The cryogenic high-pressure loading method offers a different approach to obtaining atomistic detail on guest molecules. The GCMC simulations provide information on interaction energies of the adsorption sites allowing to classify the sites by energy. DFT calculations reveal the energy barrier of the transition to the high-pressure phase. This combination of techniques provides a holistic approach to understanding both structural and energetic changes upon adsorption in MOFs.

    View details for DOI 10.1038/s41467-018-03878-6

    View details for Web of Science ID 000429794300022

    View details for PubMedID 29650966

    View details for PubMedCentralID PMC5897325

  • Equation of state and electron localisation in fcc lithium JOURNAL OF APPLIED PHYSICS Frost, M., Levitan, A. L., Sun, P., Glenzer, S. 2018; 123 (6)

    View details for DOI 10.1063/1.5020296

    View details for Web of Science ID 000425192500031

  • Deformation-aided segregation of Fe -S liquid from olivine under deep Earth conditions: Implications for core formation in the early solar system PHYSICS OF THE EARTH AND PLANETARY INTERIORS Berg, M. T. L., Bromiley, G. D., Butler, I. B., Frost, M., Bradley, R., Carr, J., Le Godec, Y., Montesi, L. G. J., Zhu, W., Miller, K., Perrillat, J., Mariani, E., Tatham, D., Redfern, S. A. T. 2017; 263: 38–54

    View details for DOI 10.1016/j.pepi.2017.01.004

    View details for Web of Science ID 000395360400005

  • Formation of xenon-nitrogen compounds at high pressure SCIENTIFIC REPORTS Howie, R. T., Turnbull, R., Binns, J., Frost, M., Dalladay-Simpson, P., Gregoryanz, E. 2016; 6: 34896

    Abstract

    Molecular nitrogen exhibits one of the strongest known interatomic bonds, while xenon possesses a closed-shell electronic structure: a direct consequence of which renders both chemically unreactive. Through a series of optical spectroscopy and x-ray diffraction experiments, we demonstrate the formation of a novel van der Waals compound formed from binary Xe-N2 mixtures at pressures as low as 5 GPa. At 300 K and 5 GPa Xe(N2)2-I is synthesised, and if further compressed, undergoes a transition to a tetragonal Xe(N2)2-II phase at 14 GPa; this phase appears to be unexpectedly stable at least up to 180 GPa even after heating to above 2000 K. Raman spectroscopy measurements indicate a distinct weakening of the intramolecular bond of the nitrogen molecule above 60 GPa, while transmission measurements in the visible and mid-infrared regime suggest the metallisation of the compound at ~100 GPa.

    View details for DOI 10.1038/srep34896

    View details for Web of Science ID 000385351500001

    View details for PubMedID 27748357

    View details for PubMedCentralID PMC5066244

  • Novel high-pressure nitrogen phase formed by compression at low temperature PHYSICAL REVIEW B Frost, M., Howie, R. T., Dalladay-Simpson, P., Goncharov, A. F., Gregoryanz, E. 2016; 93 (2)

    View details for DOI 10.1103/PhysRevB.93.024113

    View details for Web of Science ID 000369219600001

https://orcid.org/0000-0001-6879-0422