Miriam Pena Alvarez

2025

Pressure-Driven Reactivity in Dense Methane-Nitrogen Mixtures

Shuttleworth, H. A., Kuzovnikov, M. A., Conway, L. J., Hu, H., Yan, J., Gallego-Parra, S., Osmond, I., Marqueno, T., Hanfland, M., Laniel, D., Gregoryanz, E., Hermann, A., Pena-Alvarez, M. & Howie, R. T., 3 Apr 2025, In: Angewandte Chemie - International Edition. p. 1-7 7 p., e202422710.

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2024

Synthesis of Na₃WH₉ and Na₃ReH₈ Ternary Hydrides at High Pressures

Marqueño, T., Osmond, I., Kuzovnikov, M. A., Shuttleworth, H. A., Gallego-Parra, S., Gregoryanz, E., Hermann, A., Howie, R. T. & Peña-Alvarez, M., 11 Nov 2024, In: Inorganic Chemistry. 63, 45, p. 21734-21741 8 p.

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High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides

Liang, A., Osmond, I., Krach, G., Shi, L. T., Brüning, L., Ranieri, U., Spender, J., Tasnadi, F., Massani, B., Stevens, C. R., McWilliams, R. S., Bright, E. L., Giordano, N., Gallego-Parra, S., Yin, Y., Aslandukov, A., Akbar, F. I., Gregoryanz, E., Huxley, A. & Peña-Alvarez, M. & 5 others, Si, J. G., Schnick, W., Bykov, M., Trybel, F. & Laniel, D., 8 Aug 2024, In: Advanced Functional Materials. 34, 32, p. 1-12 12 p., 2313819.

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High pressure study of sodium trihydride

Marqueno, T., Kuzovnikov, M. A., Osmond, I., Dalladay-Simpson, P., Hermann, A., Howie, R. T. & Pena Alvarez, M., 9 Jan 2024, In: Frontiers in chemistry. 11, p. 1-8 8 p., 1306495.

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2023

Pressure-Induced Metallization of BaH₂ and the Effect of Hydrogenation

Shuttleworth, H. A., Osmond, I., Strain, C., Binns, J., Buhot, J., Friedemann, S., Howie, R. T., Gregoryanz, E. & Peña-Alvarez, M., 21 Dec 2023, In: Journal of Physical Chemistry Letters. 14, 50, p. 11490-11496 7 p.

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Synthesis and characterization of XeAr2 under high pressure

Wang, M., Kuzovnikov, M. A., Binns, J., Li, X., Pena Alvarez, M., Hermann, A., Gregoryanz, E. & Howie, R. T., 7 Oct 2023, In: The Journal of Chemical Physics. 159, 13, p. 1-6 6 p., 134508.

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H₂ Chemical Bond in a High-Pressure Crystalline Environment

Marqués, M., Peña-Alvarez, M., Martínez-Canales, M. & Ackland, G. J., 10 Aug 2023, In: Journal of Physical Chemistry C. 127, 31, p. 15523-15532 10 p.

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2022

Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides

Pena Alvarez, M., Binns, J., Marques , M., Kuzovnikov, M., Dalladay-Simpson, P., Pickard, C. J., Ackland, G. J., Gregoryanz, E. & Howie, R. T., 15 Sept 2022, In: The Journal of Physical Chemistry Letters. 13, 36, p. 8447-8454 8 p., 13.

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Formation and Stability of Dense Methane-Hydrogen Compounds

Ranieri, U., Conway, L. J., Donnelly, M.-E., Hu, H., Wang, M., Dalladay-Simpson, P., Pena-Alvarez, M., Gregoryanz, E., Hermann, A. & Howie, R. T., 27 May 2022, In: Physical Review Letters. 128, 21, p. 1-6 6 p., 215702.

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2021

In-situ abiogenic methane synthesis from diamond and graphite under geologically relevant conditions

Pena Alvarez, M., Brovarone, A. V., Donnelly, M.-E., Wang, M., Dalladay-Simpson, P., Howie, R. & Gregoryanz, E., 4 Nov 2021, In: Nature Communications. 12, p. 1-5 5 p., 6387.

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Superionicity, disorder, and bandgap closure in dense hydrogen chloride

Binns, J., Hermann, A., Pena Alvarez, M., Donnelly, M.-E., Wang, M., Kawaguchi, S. I., Gregoryanz, E., Howie, R. T. & Dalladay-Simpson, P., 1 Sept 2021, In: Science Advances. 7, 36, p. 1-7 7 p., eabi9507.

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Pressure-Induced Synthesis and Properties of an H2S-H2Se-H-2 Molecular Alloy

Pena-Alvarez, M., Hu, H., Marques, M., Cooke, P. I. C., Donnelly, M.-E., Binns, J., Gorelli, F. A., Gregoryanz, E., Dalladay-Simpson, P., Ackland, G. J. & Howie, R. T., 24 Jun 2021, In: Journal of Physical Chemistry Letters. 12, 24, p. 5738-5743 6 p.

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Synthesis of Weaire–Phelan Barium Polyhydride

Pena Alvarez, M., Binns, J., Martinez-Canales, M., Monserrat, B., Ackland, G. J., Dalladay-Simpson, P., Howie, R. T., Pickard, C. J. & Gregoryanz, E., 27 May 2021, In: The Journal of Physical Chemistry Letters. 12, 20, p. 4910-4916 7 p.

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High-temperature phase transitions in dense germanium

Kelsall, L. C., Pena Alvarez, M., Martinez-Canales, M., Binns, J., Pickard, C. J., Dalladay-Simpson, P., Howie, R. T. & Gregoryanz, E., 3 May 2021, In: The Journal of Chemical Physics. 154, 17, p. 1-8 8 p., 174702.

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High Pressure Insertion of Dense H2 into a Model Zeolite

Xu, W., Liu, X.-D., Pena Alvarez, M., Jiang, H.-C., Dalladay-Simpson, P., Coasne, B., Haines, J., Gregoryanz, E. & Santoro, M., 8 Apr 2021, In: Journal of Physical Chemistry C. 125, 13, p. 7511-7517 7 p.

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Dynamic Covalent Properties of a Novel Indolo[3,2‐b]carbazole Diradical

Dominguez, I. B., Pena Alvarez, M., Wang, D., Guardiola, A. P., Vida, Y., Rodriguez Gonzalez, S., Lopez Navarrete, J. T., Hernandez Jolin, V., Sancho Garcia, J. C., Garcia Baonza, V., Nash, R., Hartl, F., Li, H. & Ruiz Delgado, M. C., 22 Mar 2021, In: Chemistry - A European Journal. 27, 17, p. 5509-5520 12 p.

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2020

Nuclear Spin Crossover in Dense Molecular Hydrogen

Meier, T., Laniel, D., Pena-Alvarez, M., Trybel, F., Khandarkhaeva, S., Krupp, A., Jacobs, J., Dubrovinskaia, N. & Dubrovinsky, L., 10 Dec 2020, In: Nature Communications. 11, 1, p. 1-7 7 p., 6334.

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Quantitative rotational to librational transition in dense H2 and D2

Pena Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X.-D., Howie, R. T., Cooke, P., Magdau, I. B., Ackland, G. J. & Gregoryanz, E., 20 Aug 2020, In: The Journal of Physical Chemistry Letters. 11, 16, p. 6626-6631 6 p.

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Synthesis of Superconducting Cobalt Trihydride

Pena Alvarez, M., Li, B., Kelsall, L., Binns, J., Dalladay-Simpson, P., Hermann, A., Howie, R. & Gregoryanz, E., 6 Aug 2020, In: The Journal of Physical Chemistry Letters. 11, 15, p. 6420-6425 6 p.

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Raman signal from a hindered hydrogen rotor

Cooke, P. I. C., Magdǎu, I. B., Peña-Alvarez, M., Afonina, V., Dalladay-Simpson, P., Liu, X.-D., Howie, R. T., Gregoryanz, E. & Ackland, G. J., 1 Aug 2020, In: Physical Review B. 102, 6, 064102.

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A Chichibabin’s Hydrocarbon Based Molecular Cage: The Impact of Structural Rigidity on Dynamics, Stability, and Electronic Properties

Ni, Y., Gordillo-Gamez, F., Pena Alvarez, M., Nan, Z., Li, Z., Wu, S., Han, Y., Casado, J. & Wu, J., 22 Jul 2020, In: Journal of the American Chemical Society. 142, 29, p. 12730-12742 13 p.

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Localisation effects on the Vibron Shifts in Helium-Hydrogen Mixtures

Ramsey, S. B., Pena-Alvarez, M. & Ackland, G. J., 4 Jun 2020, In: Physical review B. 101, 21, 214306.

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Properties and phase diagram of (H2S)2H2

Pace, E., Liu, X.-D., Dalladay-Simpson, P., Binns, J., Pena Alvarez, M., Attfield, J. P., Howie, R. & Gregoryanz, E., 18 May 2020, In: Physical review B. 101, 17, 174511.

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Complex Hydrogen Substructure in Semimetallic RuH4

Binns, J., He, Y., Donnelly, M.-E., Pena Alvarez, M., Wang, M., Kim, D., Gregoryanz, E., Dalladay-Simpson, P. & Howie, R., 7 May 2020, In: The Journal of Physical Chemistry Letters. 11, 9, p. 3390-3395 6 p.

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High-pressure polymorphism in pyridine

Giordano, N., Beavers, C. M., Campbell, B. J., Eigner, V., Gregoryanz, E., Marshall, W. G., Peña-álvarez, M., Teat, S. J., Vennari, C. E. & Parsons, S., 1 Jan 2020, In: IUCrJ. 7, 1, p. 58-70 13 p.

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2019

Praseodymium polyhydrides synthesized at high temperatures and pressures

Pena Alvarez, M., Binns, J., Hermann, A., Kelsall, L., Dalladay-Simpson, P., Gregoryanz, E. & Howie, R., 13 Nov 2019, In: Physical review B. 100, 18, 184109.

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Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure

Pena Alvarez, M., Fanetti, S., Falsini, N., Novelli, G., Casado, J., Baonza, V. G., Taravillo, M., Parsons, S., Bini, R. & Citroni, M., 26 Sept 2019, In: Molecules.

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Post-tilleyite, a dense calcium silicate-carbonate phase

Santamaria-Perez, D., Ruiz-Fuertes, J., Pena Alvarez, M., Chulia-Jordan, R., Marqueno, T., Gutierrez-Cano, V., MacLeod, S., Popescu, C., Gregoryanz, E., Rodriguez-Hernandez, P. & Munoz, A., 27 May 2019, In: Scientific Reports. 9, 11 p., 7898.

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Structural Studies on the Cu–H System under Compression

Binns, J., Pena Alvarez, M., Donnelly, M.-E., Gregoryanz, E., Howie, R. & Dalladay-Simpson, P., 6 Apr 2019, In: Engineering.

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Band Gap Closure, Incommensurability and Molecular Dissociation of Dense Chlorine

Dalladay-Simpson, P., Binns, J., Pena Alvarez, M., Donnelly, M.-E., Greenberg, E., Prakapenka, V., Chen, X.-J., Gregoryanz, E. & Howie, R. T., 8 Mar 2019, In: Nature Communications.

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Direct Reaction Between Copper and Nitrogen at High Pressures and Temperatures

Binns, J., Donnelly, M.-E., Pena Alvarez, M., Wang, M., Gregoryanz, E., Hermann, A., Dalladay-Simpson, P. & Howie, R. T., 20 Feb 2019, (E-pub ahead of print) In: The Journal of Physical Chemistry Letters.

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Intensity of Raman modes as a temperature gauge in fluid hydrogen and deuterium

Peña-Alvarez, M., Dalladay-Simpson, P., Liu, X. D., Afonina, V., Zhang, H. C., Howie, R. T. & Gregoryanz, E., 9 Jan 2019, In: Journal of applied physics. 125, 2, 025901.

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2018

Molecules Under Pressure: The Case of [n]Cycloparaphenylenes

Pena Alvarez, M., Qiu, L., Baonza, V. G., Taravillo, M., Kertesz, M. & Casado, J., 16 Nov 2018, In: Chemistry of Materials.

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Reactivity of Hydrogen-Helium and Hydrogen-Nitrogen Mixtures at High Pressures

Turnbull, R., Peña-Alvarez, M., Donnelly, M. E., Wang, M., Dalladay-Simpson, P., Mao, H. K., Howie, R. T., Ji, C. & Gregoryanz, E., 9 Nov 2018, In: Physical Review Letters. 121, 19, 195702.

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Mechanochemistry in [6]Cycloparaphenylene: A Combined Raman Spectroscopy and Density Functional Theory Study

Qiu, L., Pena Alvarez, M., Baonza, V. G., Taravillo, M., Casado, J. & Kertesz, M., 7 Aug 2018, In: ChemPhysChem.

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Mechanochromic Luminescent Tetrathiazolylthiophenes: Evaluating the Role of Intermolecular Interactions through Pressure and Temperature-Dependent Raman Spectroscopy

Mosca, S., Milani, A., Pena Alvarez, M., Yamaguchi, S., Hernandez, V., Ruiz Delgado, M. C. & Castiglioni, C., 2 Aug 2018, In: Journal of Physical Chemistry C.

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Structures of lithium-zinc compounds at high pressures

Dalladay-Simpson, P., Binns, J., Wang, M., Peña-Alvarez, M., Pace, E. J., Gregoryanz, E., Chen, X. J. & Howie, R., 13 Jul 2018, In: Journal of Chemical Physics. 149, 2, 024306.

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High pressure synthesis and stability of cobalt hydrides

Wang, M., Binns, J., Donnelly, M.-E., Pena Alvarez, M., Dalladay-Simpson, P. & Howie, R., 13 Apr 2018, In: The Journal of Chemical Physics.

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2017

Breaking bonds, Forming Nanographene Diradical with Pressure

Desroches, M., Burrezo, P. M., Boismenu-Lavoie, J., Pena Alvarez, M., Gomez-Garcia, C., Matxain, J. M., Casanova, D., Morin, J.-F. & Casado, J., 18 Dec 2017, In: Angewandte Chemie.

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High‐Pressure Chemistry and the Mechanochemical Polymerization of [5]‐Cyclo‐p‐phenylene

Qiu, L., Pena Alvarez, M., Taravillo, M., Evans, P. J., Darzi, E. R., Jasti, R., Mayorga Burrezo, P., Lopez Navarrete, J. T., Baonza, V. G., Casado, J. & Kertesz, M., 21 Nov 2017, In: Chemistry - A European Journal.

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Synthesis and stability of hydrogen selenide compounds at high pressure

Pace, E. J., Binns, J., Alvarez, M. P., Dalladay-Simpson, P., Gregoryanz, E. & Howie, R. T., 13 Nov 2017, In: The Journal of Chemical Physics. 147, 18, 5 p., 184303.

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Evaluating arbitrary strain configurations and doping in graphene with Raman spectroscopy

Mueller, N. S., Heeg, S., Alvarez, M. P., Kusch, P., Wasserroth, S., Clark, N., Schedin, F., Parthenios, J., Papagelis, K., Galiotis, C., Kalbáč, M., Vijayaraghavan, A., Huebner, U., Gorbachev, R., Frank, O. & Reich, S., 6 Nov 2017, In: 2D Materials. 5, 1, 015016.

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2,7-Dicyanomethylenecarbazole Based Biradicaloid and Corresponding Cyclophane Tetramer: Dynamic Interconversion Controlled by External Stimuli

Wang, D., Capel Ferron, C., Li, J., Gamez-Valenzuela, S., Ponce Ortiz, R., Lopez Navarrete, J. T., Hernandez Jolin, V., Yang, X., Pena Alvarez, M., Garcia Baonza, V., Hartl, F., Ruiz Delgado, M. C. & Li, H., 4 Oct 2017, In: Chemistry - A European Journal.

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Fingerprints of Through-Bond and Through-Space Exciton and Charge π-Electron Delocalization in Linearly Extended [2.2]Paracyclophanes

Zafra, J. L., Ontoria, A. M., Burrezo, P. M., Pena Alvarez, M., Samoc, M., Szeremeta, J., Ramirez, F. J., Lovander, M. D., Droske, C. J., Pappenfus, T. M., Echegoyen, L., Lopez Navarrete, J. T., Martin, N. & Casado, J., 1 Mar 2017, In: Journal of the American Chemical Society.

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Fine Tuning of Optical Transition Energy of Twisted Bilayer Graphene via Interlayer Distance Modulation

Corro, E. D., Peña-Alvarez, M., Sato, K., Morales-Garcia, A., Bousa, M., Mračko, M., Kolman, R., Pacakova, B., Kavan, L., Kalbac, M. & Frank, O., 23 Feb 2017, In: Physical review B.

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2016

Graphene under direct compression stress effects and interlayer coupling

Corro, E. D., Pena-Alvarez, M., Mracko, M., Kolman, R., Kalbac, M., Kavan, L. & Frank, O., 1 Dec 2016, In: physica status solidi (b) – basic solid state physics.

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Reversible Dimerization and Polymerization of a Janus Diradical To Produce Labile C−C Bonds and Large Chromic Effects

Zafra, J. L., Qiu, L., Yanai, N., Mori, T., Nakano, M., Pena Alvarez, M., Lopez Navarrete, J. T., Gomez-Garcia, C. J., Kertesz, M., Takimiya, K. & Casado, J., 14 Nov 2016, In: Angewandte Chemie International Edition.

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Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical

Souto, M., Cui, H., Pena Alvarez, M., Baonza, V. G., Jeschke, H. O., Tomic, M., Valenti, R., Blasi, D., Ratera, I., Rovira, C. & Veciana, J., 14 Sept 2016, In: Journal of the American Chemical Society.

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A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs

Rudebusch, G. E., Espejo, G. N. L., Zafra, J. L., Pena Alvarez, M., Spisak, S. N., Fukuda, K., Wei, Z., Nakono, M., Petrukhina, M. A., Casado, J. & Haley, M. M., 13 Sept 2016, In: Journal of the American Chemical Society.

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The Raman Fingerprint of Cyclic Conjugation: The case of the Stabilization of Cations and Dications in Cycloparaphenylenes

Pena Alvarez, M., Ruiz Delgado, M. C., Taravillo, M., Baonza, V. G., Lopez Navarrete, J. T., Evans, P., Jasti, R., Yamago, S., Kertesz, M. & Casado, J., 1 Jun 2016, In: Chemical Science.

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Miriam Pena Alvarez

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