Publications by Miriam Pena Alvarez

Hydrogen vacancy induced superconductivity collapse in A15 lanthanum hydride DOI
Israel Osmond, Lewis J. Conway, Mikhail A. Kuzovnikov, Callum Stevens, Tomas Marqueno, Hannah A. Shuttleworth, Andrew Huxley, Chris J. Pickard, Graeme J. Ackland, Ross Howie and Miriam Peña-Alvarez, Physical Review Letters, 136, 8, p. 1-6 (2026)
Revisiting the phase diagram of methane DOI
Mengnan Wang, Miriam Peña-Alvarez, Ross T. Howie and Eugene Gregoryanz, Physical Review Letters, 136, 4, p. 1-6 (2026)
Theory-guided discovery of pressure-induced transitions in the fast-ion conductor BaSnF4 DOI
Robin Turnbull, Zhang YingLong, Claudio Cazorla, Akun Liang, Rahman Saqib, Miriam Peña-Alvarez, Catalin Popescu, Laura Pampillo and Daniel Errandonea, Physical review B, 112, 18, p. 1-10 (2025)
Close-packed atomic bromine up to 230 GPa DOI
E. Edmund, M. H. Dalsaniya, R. T. Howie, E. Greenberg, V. B. Prakapenka, M. Pena-Alvarez, M. Hanfland, P. Dalladay-Simpson, D. Kurzydlowski and A. Hermann, Physical Review B, 112, 13, p. 1-7 (2025)
High-Pressure Synthesis and Characterization of the Novel Potassium Superhydride KH9 DOI
Tomas Marqueno, Israel Osmond, Mikhail A. Kuzovnikov, Hannah A. Shuttleworth, Andreas Hermann, Ross T. Howie and Miriam Pena-Alvarez, The Journal of Physical Chemistry Letters, 16, 37, p. 9701-9707 (2025)
Unexpected compound reformation in the dense selenium-hydrogen system DOI
Huixin Hu, Mikhail A. Kuzovnikov, Hannah A. Shuttleworth, Tomas Marqueño, Jinwei Yan, Israel Osmond, Federico A. Gorelli, Eugene Gregoryanz, Philip Dalladay-Simpson, Graeme J. Ackland, Miriam Peña-Alvarez and Ross T. Howie, Communications Materials, 6, 1, p. 1-7 (2025)
High Pressure Synthesis of Rubidium Superhydrides DOI
Mikhail A. Kuzovnikov, Busheng Wang, Xiaoyu Wang, Tomas Marqueño, Hannah A. Shuttleworth, Calum Strain, Eugene Gregoryanz, Eva Zurek, Miriam Peña-Alvarez and Ross T. Howie, Physical Review Letters, 134, 19, p. 1-7 (2025)
Pressure-Driven Reactivity in Dense Methane-Nitrogen Mixtures DOI
Hannah A. Shuttleworth, Mikhail A. Kuzovnikov, Lewis J. Conway, Huixin Hu, Jinwei Yan, Samuel Gallego-Parra, Israel Osmond, Tomas Marqueno, Michael Hanfland, Dominique Laniel, Eugene Gregoryanz, Andreas Hermann, Miriam Pena-Alvarez and Ross T. Howie, Angewandte Chemie - International Edition, 64, 20, p. 1-7 (2025)
H2−CH4 van der Waals compounds under rapid compression DOI
Jinwei Yan, Israel Osmond, Ross T. Howie, Eugene Gregoryanz and Miriam Peña-Alvarez, Physical review B, 110, 22, p. 1-8 (2024)
Synthesis of Na3WH9 and Na3ReH8 Ternary Hydrides at High Pressures DOI
Tomas Marqueño, Israel Osmond, Mikhail A. Kuzovnikov, Hannah A. Shuttleworth, Samuel Gallego-Parra, Eugene Gregoryanz, Andreas Hermann, Ross T. Howie and Miriam Peña-Alvarez, Inorganic Chemistry, 63, 45, p. 21734-21741 (2024)
Investigating Enhanced Electrical Conductivity in Ice VII DOI
Elvita Meskauskaite, Miriam Pena Alvarez and Israel Osmond, Edinburgh Student Journal of Science, 1, 2, p. 1-5 (2024)
High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides DOI
Akun Liang, Israel Osmond, Georg Krach, Lan Ting Shi, Lukas Brüning, Umbertoluca Ranieri, James Spender, Ferenc Tasnadi, Bernhard Massani, Callum R. Stevens, Ryan Stewart McWilliams, Eugene Gregoryanz, Andrew Huxley, Miriam Peña-Alvarez, Dominique Laniel et al., Advanced Functional Materials, 34, 32, p. 1-12 (2024)
High pressure study of sodium trihydride DOI
Tomas Marqueno, Mikhail A. Kuzovnikov, Israel Osmond, Philip Dalladay-Simpson, Andreas Hermann, Ross T. Howie and Miriam Pena Alvarez, Frontiers in chemistry, 11, p. 1-8 (2024)
Pressure-Induced Metallization of BaH2 and the Effect of Hydrogenation DOI
Hannah A. Shuttleworth, Israel Osmond, Calum Strain, Jack Binns, Jonathan Buhot, Sven Friedemann, Ross T. Howie, Eugene Gregoryanz and Miriam Peña-Alvarez, Journal of Physical Chemistry Letters, 14, 50, p. 11490-11496 (2023)
Synthesis and characterization of XeAr2 under high pressure DOI
Mengnan Wang, Mikhail A. Kuzovnikov, Jack Binns, Xiaofeng Li, Miriam Pena Alvarez, Andreas Hermann, Eugene Gregoryanz and Ross T. Howie, The Journal of Chemical Physics, 159, 13, p. 1-6 (2023)
H2 Chemical Bond in a High-Pressure Crystalline Environment DOI
Miriam Marqués, Miriam Peña-Alvarez, Miguel Martínez-Canales and Graeme J. Ackland, Journal of Physical Chemistry C, 127, 31, p. 15523-15532 (2023)
Chemically Assisted Precompression of Hydrogen Molecules in Alkaline-Earth Tetrahydrides DOI
Miriam Pena Alvarez, Jack Binns, Miriam Marques, Mikhail Kuzovnikov, Philip Dalladay-Simpson, Chris J Pickard, Graeme J. Ackland, Eugene Gregoryanz and Ross T. Howie, The Journal of Physical Chemistry Letters, 13, 36, p. 8447-8454 (2022)
Formation and Stability of Dense Methane-Hydrogen Compounds DOI
Umbertoluca Ranieri, Lewis J. Conway, Mary-Ellen Donnelly, Huixin Hu, Mengnan Wang, Philip Dalladay-Simpson, Miriam Pena-Alvarez, Eugene Gregoryanz, Andreas Hermann and Ross T. Howie, Physical Review Letters, 128, 21, p. 1-6 (2022)
In-situ abiogenic methane synthesis from diamond and graphite under geologically relevant conditions DOI
Miriam Pena Alvarez, Alberto Vitale Brovarone, Mary-Ellen Donnelly, Mengnan Wang, Philip Dalladay-Simpson, Ross Howie and Eugene Gregoryanz, Nature Communications, 12, p. 1-5 (2021)
Superionicity, disorder, and bandgap closure in dense hydrogen chloride DOI1 DOI2
Jack Binns, A. Hermann, M. Pena Alvarez, Mary-Ellen Donnelly, Mengnan Wang, Saori Imada Kawaguchi, Eugene Gregoryanz, Ross T. Howie and Philip Dalladay-Simpson, Science Advances, 7, 36, p. 1-7 (2021)
Pressure-Induced Synthesis and Properties of an H2S-H2Se-H-2 Molecular Alloy DOI
Miriam Pena-Alvarez, Huixin Hu, Miriam Marques, Peter I. C. Cooke, Mary-Ellen Donnelly, Jack Binns, Federico A. Gorelli, Eugene Gregoryanz, Philip Dalladay-Simpson, Graeme J. Ackland and Ross T. Howie, Journal of Physical Chemistry Letters, 12, 24, p. 5738-5743 (2021)
Synthesis of Weaire–Phelan Barium Polyhydride DOI
Miriam Pena Alvarez, Jack Binns, Miguel Martinez-Canales, Bartomeu Monserrat, Graeme J Ackland, Philip Dalladay-Simpson, Ross T Howie, Chris J Pickard and Eugene Gregoryanz, The Journal of Physical Chemistry Letters, 12, 20, p. 4910-4916 (2021)
High-temperature phase transitions in dense germanium DOI
Liam C Kelsall, Miriam Pena Alvarez, Miguel Martinez-Canales, Jack Binns, Chris J Pickard, Philip Dalladay-Simpson, Ross T Howie and Eugene Gregoryanz, The Journal of Chemical Physics, 154, 17, p. 1-8 (2021)
High Pressure Insertion of Dense H2 into a Model Zeolite DOI
Wan Xu, Xiao-Di Liu, Miriam Pena Alvarez, Hua-Chao Jiang, Philip Dalladay-Simpson, Benoit Coasne, Julien Haines, Eugene Gregoryanz and Mario Santoro, Journal of Physical Chemistry C, 125, 13, p. 7511-7517 (2021)
Dynamic Covalent Properties of a Novel Indolo[3,2‐b]carbazole Diradical DOI
Irene Badia Dominguez, M. Pena Alvarez, Deliang Wang, Andres Perez Guardiola, Yolanda Vida, Sandra Rodriguez Gonzalez, Juan T Lopez Navarrete, Victor Hernandez Jolin, Juan C Sancho Garcia, Valentin Garcia Baonza et al., Chemistry - A European Journal, 27, 17, p. 5509-5520 (2021)
Nuclear Spin Crossover in Dense Molecular Hydrogen DOI
Thomas Meier, Dominique Laniel, Miriam Pena-Alvarez, Florian Trybel, Saiana Khandarkhaeva, Alena Krupp, Jeroen Jacobs, Natalia Dubrovinskaia and Leonid Dubrovinsky, Nature Communications, 11, 1, p. 1-7 (2020)
Quantitative rotational to librational transition in dense H2 and D2 DOI
Miriam Pena Alvarez, Veronika Afonina, Philip Dalladay-Simpson, Xiao-Di Liu, Ross T. Howie, Peter Cooke, Ioan B. Magdau, Graeme J. Ackland and Eugene Gregoryanz, The Journal of Physical Chemistry Letters, 11, 16, p. 6626-6631 (2020)
Synthesis of Superconducting Cobalt Trihydride DOI
Miriam Pena Alvarez, Bin Li, Liam Kelsall, Jack Binns, Philip Dalladay-Simpson, Andreas Hermann, Ross Howie and Eugene Gregoryanz, The Journal of Physical Chemistry Letters, 11, 15, p. 6420-6425 (2020)
Raman signal from a hindered hydrogen rotor DOI
Peter I. C. Cooke, Ioan B. Magdǎu, Miriam Peña-Alvarez, Veronika Afonina, Philip Dalladay-Simpson, Xiao-Di Liu, Ross T. Howie, Eugene Gregoryanz and Graeme J. Ackland, Physical Review B, 102, 6 (2020)
A Chichibabin’s Hydrocarbon Based Molecular Cage: The Impact of Structural Rigidity on Dynamics, Stability, and Electronic Properties DOI
Yong Ni, Fernando Gordillo-Gamez, Miriam Pena Alvarez, Zhihan Nan, Zhengtao Li, Shaofei Wu, Yi Han, Juan Casado and Jishan Wu, Journal of the American Chemical Society, 142, 29, p. 12730-12742 (2020)
Localisation effects on the Vibron Shifts in Helium-Hydrogen Mixtures DOI
Sam B Ramsey, Miriam Pena-Alvarez and Graeme J Ackland, Physical review B, 101, 21 (2020)
Properties and phase diagram of (H2S)2H2 DOI
Ed Pace, Xiao-Di Liu, Philip Dalladay-Simpson, Jack Binns, Miriam Pena Alvarez, J Paul Attfield, Ross Howie and Eugene Gregoryanz, Physical review B, 101, 17 (2020)
Complex Hydrogen Substructure in Semimetallic RuH4 DOI
Jack Binns, Yu He, Mary-Ellen Donnelly, Miriam Pena Alvarez, Mengnan Wang, Duckyoung Kim, Eugene Gregoryanz, Philip Dalladay-Simpson and Ross Howie, The Journal of Physical Chemistry Letters, 11, 9, p. 3390-3395 (2020)
High-pressure polymorphism in pyridine DOI
Nico Giordano, Christine M. Beavers, Branton J. Campbell, Václav Eigner, Eugene Gregoryanz, Willliam G. Marshall, Miriam Peña-álvarez, Simon J. Teat, Cara E. Vennari and Simon Parsons, IUCrJ, 7, 1, p. 58-70 (2020)
Praseodymium polyhydrides synthesized at high temperatures and pressures DOI
Miriam Pena Alvarez, Jack Binns, Andreas Hermann, Liam Kelsall, Philip Dalladay-Simpson, Eugene Gregoryanz and Ross Howie, Physical review B, 100, 18 (2019)
Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure DOI
Miriam Pena Alvarez, Samuele Fanetti, Naomi Falsini, Giulia Novelli, Juan Casado, Valentin G Baonza, Mercedes Taravillo, Simon Parsons, Roberto Bini and Margherita Citroni, Molecules (2019)
Post-tilleyite, a dense calcium silicate-carbonate phase DOI
David Santamaria-Perez, Javier Ruiz-Fuertes, Miriam Pena Alvarez, Raquel Chulia-Jordan, Tomas Marqueno, Vanessa Gutierrez-Cano, Simon MacLeod, Catalin Popescu, Eugene Gregoryanz, P Rodriguez-Hernandez and Alfonso Munoz, Scientific Reports, 9 (2019)
Structural Studies on the Cu–H System under Compression DOI
Jack Binns, Miriam Pena Alvarez, Mary-Ellen Donnelly, Eugene Gregoryanz, Ross Howie and Philip Dalladay-Simpson, Engineering (2019)
Band Gap Closure, Incommensurability and Molecular Dissociation of Dense Chlorine DOI
Philip Dalladay-Simpson, Jack Binns, Miriam Pena Alvarez, Mary-Ellen Donnelly, Eran Greenberg, Vitali Prakapenka, Xiao-Jia Chen, Eugene Gregoryanz and Ross T. Howie, Nature Communications (2019)
Direct Reaction Between Copper and Nitrogen at High Pressures and Temperatures DOI
Jack Binns, Mary-ellen Donnelly, Miriam Pena Alvarez, Mengnan Wang, Eugene Gregoryanz, Andreas Hermann, Philip Dalladay-Simpson and Ross T. Howie, The Journal of Physical Chemistry Letters (2019)
Intensity of Raman modes as a temperature gauge in fluid hydrogen and deuterium DOI
Miriam Peña-Alvarez, Philip Dalladay-Simpson, Xiao DI Liu, Veronika Afonina, Hui Chao Zhang, Ross T. Howie and Eugene Gregoryanz, Journal of applied physics, 125, 2 (2019)
Molecules Under Pressure: The Case of [n]Cycloparaphenylenes DOI
Miriam Pena Alvarez, Lili Qiu, Valentin G Baonza, Mercedes Taravillo, Miklos Kertesz and Juan Casado, Chemistry of Materials (2018)
Reactivity of Hydrogen-Helium and Hydrogen-Nitrogen Mixtures at High Pressures DOI
Robin Turnbull, Miriam Peña-Alvarez, Mary Ellen Donnelly, Mengnan Wang, Philip Dalladay-Simpson, Ho Kwang Mao, Ross T. Howie, Cheng Ji and Eugene Gregoryanz, Physical Review Letters, 121, 19 (2018)
Mechanochemistry in [6]Cycloparaphenylene: A Combined Raman Spectroscopy and Density Functional Theory Study DOI
Lili Qiu, Miriam Pena Alvarez, Valentin G Baonza, Mercedes Taravillo, Juan Casado and Miklos Kertesz, ChemPhysChem (2018)
Mechanochromic Luminescent Tetrathiazolylthiophenes: Evaluating the Role of Intermolecular Interactions through Pressure and Temperature-Dependent Raman Spectroscopy DOI
S Mosca, A Milani, Miriam Pena Alvarez, S Yamaguchi, V Hernandez, M C Ruiz Delgado and C Castiglioni, Journal of Physical Chemistry C (2018)
Structures of lithium-zinc compounds at high pressures DOI
Philip Dalladay-Simpson, Jack Binns, Mengnan Wang, Miriam Peña-Alvarez, Edward J. Pace, Eugene Gregoryanz, Xiao Jia Chen and Ross Howie, Journal of Chemical Physics, 149, 2 (2018)
High pressure synthesis and stability of cobalt hydrides DOI
Mengnan Wang, Jack Binns, Mary-Ellen Donnelly, Miriam Pena Alvarez, Philip Dalladay-Simpson and Ross Howie, The Journal of Chemical Physics (2018)
Breaking bonds, Forming Nanographene Diradical with Pressure DOI
Maude Desroches, Paula Mayorga Burrezo, Joel Boismenu-Lavoie, Miriam Pena Alvarez, Carlos Gomez-Garcia, Jon M Matxain, David Casanova, Jean-Francois Morin and Juan Casado, Angewandte Chemie (2017)
High‐Pressure Chemistry and the Mechanochemical Polymerization of [5]‐Cyclo‐p‐phenylene DOI
Lili Qiu, Miriam Pena Alvarez, Mercedes Taravillo, Paul J Evans, Evan R Darzi, Ramesh Jasti, P Mayorga Burrezo, Juan T Lopez Navarrete, Valentin G Baonza, Juan Casado et al., Chemistry - A European Journal (2017)
Synthesis and stability of hydrogen selenide compounds at high pressure DOI
Edward J. Pace, Jack Binns, Miriam Pena Alvarez, Philip Dalladay-Simpson, Eugene Gregoryanz and Ross T. Howie, The Journal of Chemical Physics, 147, 18 (2017)
Evaluating arbitrary strain configurations and doping in graphene with Raman spectroscopy DOI
Niclas S. Mueller, Sebastian Heeg, Miriam Peña Alvarez, Patryk Kusch, Sören Wasserroth, Nick Clark, Fred Schedin, John Parthenios, Konstantinos Papagelis, Costas Galiotis et al., 2D Materials, 5, 1 (2017)
2,7-Dicyanomethylenecarbazole Based Biradicaloid and Corresponding Cyclophane Tetramer: Dynamic Interconversion Controlled by External Stimuli DOI
Deliang Wang, Cristina Capel Ferron, Jie Li, Sergio Gamez-Valenzuela, Rocio Ponce Ortiz, Juan T Lopez Navarrete, Victor Hernandez Jolin, Xiaodi Yang, Miriam Pena Alvarez, Valentin Garcia Baonza et al., Chemistry - A European Journal (2017)
Fingerprints of Through-Bond and Through-Space Exciton and Charge π-Electron Delocalization in Linearly Extended [2.2]Paracyclophanes DOI
Jose L. Zafra, Augustin Molina Ontoria, Paula Mayorga Burrezo, Miriam Pena Alvarez, Marek Samoc, Janusz Szeremeta, Francisco J. Ramirez, Matthew D. Lovander, Christopher J. Droske, Ted M. Pappenfus et al., Journal of the American Chemical Society (2017)
Fine Tuning of Optical Transition Energy of Twisted Bilayer Graphene via Interlayer Distance Modulation DOI
Elena del Corro, Miriam Peña-Alvarez, Kentaro Sato, Angel Morales-Garcia, Milan Bousa, Michal Mračko, Radek Kolman, Barbara Pacakova, Ladislav Kavan, Martin Kalbac et al., Physical review B (2017)
Graphene under direct compression stress effects and interlayer coupling DOI
Elena del Corro, Miriam Pena-Alvarez, Michal Mracko, Radek Kolman, Martin Kalbac, Ladislav Kavan and Otakar Frank, physica status solidi (b) – basic solid state physics (2016)
Reversible Dimerization and Polymerization of a Janus Diradical To Produce Labile C−C Bonds and Large Chromic Effects DOI
Jose L. Zafra, Lili Qiu, Naoyuki Yanai, Takamichi Mori, Masahiro Nakano, Miriam Pena Alvarez, Juan T Lopez Navarrete, Carlos J. Gomez-Garcia, Miklos Kertesz, Kazuo Takimiya et al., Angewandte Chemie International Edition (2016)
Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical DOI
Manuel Souto, HengBo Cui, Miriam Pena Alvarez, Valentin G Baonza, Harald O. Jeschke, Milan Tomic, Roser Valenti, Davide Blasi, Imma Ratera, Concepcio Rovira et al., Journal of the American Chemical Society (2016)
A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs DOI
Gabriel E Rudebusch, Guzma n L. Espejo, Jose L. Zafra, Miriam Pena Alvarez, Sarah N. Spisak, Kotaro Fukuda, Zheng Wei, Masayoshi Nakono, Marina A. Petrukhina, Juan Casado et al., Journal of the American Chemical Society (2016)
The Raman Fingerprint of Cyclic Conjugation: The case of the Stabilization of Cations and Dications in Cycloparaphenylenes DOI
Miriam Pena Alvarez, M Carmen Ruiz Delgado, Mercedes Taravillo, Valentin G Baonza, Juan T Lopez Navarrete, Paul Evans, Ramesh Jasti, Shigeru Yamago, Miklos Kertesz and Juan Casado, Chemical Science (2016)
Morphological changes in carbon nanohorns under stress: a combined Raman spectroscopy and TEM study DOI
Miriam Pena Alvarez, Elena del Corro, Fernando Langa, Valentin G Baonza and Mercedes Taravillo, RSC Advances (2016)
From linear to cyclic oligoparaphenylenes: electronic and molecular changes traced in the vibrational Raman spectra and reformulation of the bond length alternation pattern DOI
Miriam Pena Alvarez, Lili Qiu, Mercedes Taravillo, Valentin G Baonza, M Carmen Ruiz Delgado, Shigeru Yamago, Ramesh Jasti, Juan T Lopez Navarrete, Juan Casado and Miklos Kertesz, Physical Chemistry Chemical Physics (2015)
Single Layer Molybdenum Disulfide under Direct Out-of-Plane Compression: Low-Stress Band-Gap Engineering DOI
Miriam Pena Alvarez, Elena del Corro, Angel Morales-Garcia, Ladislav Kavan, Martin Kalbac and Otakar Frank, Nano Letters, 15, 5, p. 3139-3146 (2015)
Decorating graphene oxide/nanogold with dextran-based polymer brushes for the construction of ultrasensitive electrochemical enzyme biosensors DOI
Abderrahmane Boujakhrout, Alfredo Sanchez, Paula Diez, Sandra Jimenez-Falcao, Paloma Martinez-Ruiz, Miriam Pena Alvarez, Jose M. Pingarron and Reynaldo Villalonga, Journal of Materials Chemistry B: Materials for biology and medicine (2015)
Probing the Stress Effect on the Electronic Structure of Graphite by Resonant Raman Spectroscopy DOI
Miriam Pena Alvarez, Elena del Corro, Valentin G Baonza and Mercedes Taravillo, Journal of Physical Chemistry C (2014)
Properties of Sizeable [n]Cycloparaphenylenes as Molecular Models of Single‐Wall Carbon Nanotubes Elucidated by Raman Spectroscopy: Structural and Electron‐Transfer Responses under Mechanical Stress DOI
Miriam Pena Alvarez, Paula Mayorga Burrezo, Miklos Kertesz, Takahiro Iwamoto, Shigeru Yamago, Jianlong Xia, Ramesh Jasti, Juan T Lopez Navarrete, Mercedes Taravillo, Valentin G Baonza et al., Angewandte Chemie International Edition (2014)
Chameleon-like behaviour of cyclo[n]paraphenylenes in complexes with C70: on their impressive electronic and structural adaptability as probed by Raman spectroscopy DOI
Miriam Pena Alvarez, Paula Mayorga Burrezo, Takahiro Iwamoto, Lili Qiu, Miklos Kertesz, Mercedes Taravillo, Valentin G Baonza, Juan T Lopez Navarrete, Shigeru Yamago and Juan Casado, Faraday Discussions (2014)

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Publications by Miriam Pena Alvarez