Recent Publications

Stephanie Willeit, Alexander Mauz, David Gutiérrez-Armayor, Joseph Arbash, Jesús Agustín Banda-Vázquez, Sergio Martí, Pedro B. Coto, Rubén D. Costa (2025). Ancestral Protein-Based Lighting. Adv. Mater. 2025, 2420303.

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Pelayo Marín-Villa, Mattia Gaboardi, Boby Joseph, Frederico Alabarse, Jeff Armstrong, Kacper Drużbicki, Felix Fernandez-Alonso (2024). Methylammonium Lead Iodide across Physical Space: Phase Boundaries and Structural Collapse. J. Phys. Chem. Lett. 2025, 16, 1, 184–190.

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Karin S. Thalmann, Kalith Mohamed Ismail Syed Sulaiman, R. K. Kathir, Diogo J. L. Rodrigues, Michael Thoss, Ángel Martín Pendás, Pedro B. Coto (2024). Role of the Radical Character in Singlet Fission: An Ab Initio and Quantum Chemical Topology Analysis. J. Phys. Chem. A 2025, 129, 1, 94-102.

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R. K. Kathir, Pedro B. Coto, Michael Thoss (2024). Spin Mixing in Intramolecular Singlet Fission: A First-Principles-Based Quantum Dynamical Study. J. Phys. Chem. Lett. 2024, 15, 46, 11517–11524.

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Tomas Stephen Northam de la Fuente, Irene Vettori, Kalith Mohamed Ismail Syed Sulaiman, Mattia Gaboardi, Valerio Di Lisio, Daniele Cangialosi, Pedro B. Coto, A. Otero-De-La-Roza, Felix Fernandez-Alonso (2024). New materials for the recovery and storage of thermal energy. EPJ Web of Conferences 310, 00008 (2024).

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A. Scognamiglio, K. S. Thalmann, S. Hartweg, N. Rendler, L. Bruder, Pedro B. Coto, M. Thoss, F. Stienkemeier (2024). Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state. J. Chem. Phys. 161, 024302 (2024).

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Cristina Maciá-Castelló, Jennifer Huidobro, Daniel Blanco López, Mattia Gaboardi, Carlo Cazzaniga, Nahid Bhuiyan, Jorge S. Dolado, Gorka Arana, Juan Manuel Madariaga, Felix Fernandez-Alonso (2024). Neutron activation on NILE for quantitative chemical analysis – First results and outlook. EPJ Web of Conferences 298, 05002 (2024).

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Ginevra Giobbio, Pedro B. Coto, Jean-François Lohier, Jean-Luc Renaud, Sylvain Gaillard, Rubén D. Costa (2024). [Ag(IPr)(bpy)][PF6]: brightness and darkness playing with aggregation induced phosphorescence for light-emitting electrochemical cells. Dalton Trans., 2024,53, 12307-12315.

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S. Rajagopala Reddy, Pedro B. Coto, Michael Thoss (2024). Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser field. J. Chem. Phys. 160, 194306 (2024).

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Stephanie Grümbel, Marco Hasler, Sara Ferrara, Marta Patrian, Jesús Agustín Banda-Vázquez, Pedro B. Coto, Juan Pablo Fuenzalida Werner, Rubén D. Costa (2024). Simple Encoded Circularly Polarized Protein Lighting. Adv. Optical Mater. 2024, 12, 2400106..

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Matthew Krzystyniak, Giovanni Romanelli, Beata Grabowska, Felix Fernandez-Alonso (2024). Nanocomposite materials as observed by mass-selective neutron spectroscopy. Matthew Krzystyniak et al 2024 J. Phys. Commun. 8 022001.

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Carlos Cabrillo, Ricardo Fernández-Perea, Francisco J. Bermejo, Claudia Mondelli, Miguel A. González, Felix Fernandez-Alonso, Eduardo Enciso, Marie-Louise Saboungi (2024). Large hysteretic hydrogen adsorption in Double Wall Carbon Nanotubes bundles. Carbon 219 (2024) 118766.

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M. J. Coak, K. Götze, Tomas Stephen Northam de la Fuente, C. Castelnovo, J.P. Tidey, J. Singleton, A. T. Boothroyd, D. Prabhakaran, P. A. Goddard (2024). Magnetotransport of Sm2Ir2O7 across the pressure-induced quantum-critical phase boundary. npj Quantum Mater 2024, 9, 1–12.

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Tomas Stephen Northam de la Fuente, Mattia Gaboardi, Kalith Mohamed Ismail Syed Sulaiman, Valerio Di Lisio, Daniele Cangialosi, Alberto Otero-De-La-Roza, Pedro B. Coto, Felix Fernandez-Alonso (2024). Metastability and polymorphism in dihydroxybenzenes – implications for thermal energy storage. Energy Adv., 2024,3, 413-418.

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Kacper Drużbicki, Pablo Gila-Herranz, Pelayo Marín-Villa, Mattia Gaboardi, Jeff Armstrong, Felix Fernandez-Alonso (2024). Cation Dynamics as Structure Explorer in Hybrid Perovskites─The Case of MAPbI3. Cryst. Growth Des. 2024, 24, 391-404.

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Franz Demmel, Adrien Perrichon, David McPhail, Paula Luna Dapica, Nick Webb, Andy Cook, Erik Schooneveld, Johnny Boxall, Nigel Rhodes, Cyril Lockett, Colin Dabinett, Joel Hodder, Daniel Nye, Sanghamitra Mukhopadhyay, Ian Silverwood, Mona Sarter, Victoria Garcia Sakai, Felix Fernandez-Alonso (2023). Silver Jubilee for the OSIRIS spectrometer: Achievements and Outlook.

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Kirill Titov, Matthew R. Ryder, Aran Lamaire, Zhixin Zeng, Abhijeet K. Chaudhari, James Taylor, E. M. Mahdi, Sven M. J. Rogge, Sanghamitra Mukhopadhyay, Svemir Rudić, Veronique Van Speybroeck, Felix Fernandez-Alonso, Jin-Chong Tan (2023). Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework. Phys. Rev. Materials 7, 073402 – Published 19 July, 2023.

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Jeff Armstrong, Xiao Wang, Felix Fernandez-Alonso (2023). A New Frontier: High-pressure Neutron Science on TOSCA. Neutron News 34(2), 4-5 (2023).

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Valerio Di Lisio, Balthasar Braunewell, Cristina Maciá-Castelló, Margherita Simoni, Roberto Senesi, Felix Fernandez-Alonso, Daniele Cangialosi (2023). Fast scanning calorimetry on volatile carbon-based materials. Thermochimica Acta 719 (2023) 179414.

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Felix Fernandez-Alonso, Fernando Bresme (2022). Current Challenges in Materials for Thermal Energy Storage. Neutron News (2022), 33(4), 6–8.

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Jeff Armstrong, Xiao Wang, Felix Fernandez-Alonso (2022). The unlocking of high-pressure science with broadband neutron spectroscopy at the ISIS Pulsed Neutron & Muon Source.

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Pelayo Marín-Villa, Ana Arauzo, Kacper Drużbicki, Felix Fernandez-Alonso (2022). Unraveling the Ordered Phase of the Quintessential Hybrid Perovskite MAPbI3─Thermophysics to the Rescue. J. Phys. Chem. Lett. 2022, 13, 36, 8422–8428.

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Claudia Scatigno, Matteo Zanetti, Svemir Rudić, Roberto Senesi, Carla Andreani, Giuseppe Gorini, Felix Fernandez-Alonso (2022). Hydrogen Detection Limits and Instrument Sensitivity of High-Resolution Broadband Neutron Spectrometers. Anal. Chem. 2022, 94, 12, 5023–5028.

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Isabel Vázquez-Fernández, Kacper Drużbicki, Felix Fernandez-Alonso, Sanghamitra Mukhopadhyay, Peter Nockemann, Stewart F. Parker, Svemir Rudić, Simona-Maria Stana, John Tomkinson, Darius J. Yeadon, Kenneth R. Seddon, Natalia v. Plechkova (2021). Spectroscopic Signatures of Hydrogen-Bonding Motifs in Protonic Ionic Liquid Systems: Insights from Diethylammonium Nitrate in the Solid State. J. Phys. Chem. C 2021, 125, 24463−24476.

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Mattia Gaboardi, Ian Silverwood, Balthasar Braunewell, Jay Siegel, Felix Fernandez-Alonso (2021). Emergence of dynamical disorder and phase metastability in carbon nanobowls. Carbon 2022, 183, 196-204.

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Kacper Drużbicki, Mattia Gaboardi, Felix Fernandez-Alonso (2021). Dynamics & Spectroscopy with Neutrons—Recent Developments & Emerging Opportunities.

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A. Perrichon, Felix Fernandez-Alonso, M. Wolff, M. Karlsson, F. Demmel (2020). Neutron Ray-Tracing Simulations of a New Supermirror Guide for the Osiris Spectrometer.

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M. Zanetti, F. Mase, Svemir Rudić, James Armstrong, S.F. Parker, Felix Fernandez-Alonso (2020). Crystal Analyzers for Indirect-Geometry Broadband Neutron Spectrometers: Adding Reality to Idealized Design. J. Surf. Investig. 14 (Suppl 1), S242–S250 (2020).

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Goran Škoro, Giovanni Romanelli, Svemir Rudić, Steven Lilley, Felix Fernandez-Alonso (2020). Discovery of new neutron-moderating materials at ISIS Neutron and Muon Source. EPJ Web of Conferences 239, 17008 (2020) ND2019.

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K.H. Andersen, D.N Argyriou, A.J. Jackson, Houston, P.F. Henry, P.P. Deen, R. Toft-Petersen, P. Beran, M. Strobl, T. Arnold, H. Wacklin-Knecht, N. Tsapatsaris, E. Oksanen, R. Woracek, W. Schweika, D. Mannix, A. Hiess, S. Kennedy, O. Kirstein, S. Petersson Årsköld, J. Taylor, M.E. Hagen, G. Laszlo, K. Kanaki, F. Piscitelli, A. Khaplanov, I. Stefanescu, Th. Kittelmann, D. Pfeiffer, R. Hall-Wilton, C.I. Lopez, G. Aprigliano, L. Whitelegg, F.Y. Moreira, M. Olsson, H.N. Bordallo, D. Martín-Rodríguez, H. Schneider, M. Sharp, M. Hartl, G. Nagy, S. Ansell, S. Pullen, A. Vickery, A. Fedrigo, F. Mezei, M. Arai, R.K. Heenan, W. Halcrow, D. Turner, D. Raspino, A. Orszulik, J. Cooper, N. Webb, P. Galsworthy, J. Nightingale, S. Langridge, J. Elmer, H. Frielinghaus, R. Hanslik, A. Gussen, S. Jaksch, R. Engels, T. Kozielewski, S. Butterweck, M. Feygenson, P. Harbott, A. Poqué, A. Schwaab, K. Lieutenant, N. Violini, J. Voigt, T. Brückel, M. Koenen, H. Kämmerling, E. Babcock, Z. Salhi, A. Wischnewski, A. Heynen, S. Désert, J. Jestin, F. Porcher, X. Fabrèges, G. Fabrèges, B. Annighöfer, S. Klimko, Th. Dupont, Th. Robillard, A. Goukassov, S. Longeville, Ch. Alba-Simionesco, Ph. Bourges, Guyon Le Bouffy, P. Lavie, S. Rodrigues, E. Calzada, M. Lerche, B. Schillinger, Ph. Schmakat, M. Schulz, M. Seifert, W. Lohstroh, W. Petry, J. Neuhaus, L. Loaiza, A. Tartaglione, A. Glavic, S. Schütz, J. Stahn, E. Lehmann, M. Morgano, J. Schefer, U. Filges, Ch. Klauser, Ch. Niedermayer, J. Fenske, G. Nowak, M. Rouijaa, D.J. Siemers, R. Kiehn, M. Müller, H. Carlsen, L. Udby, K. Lefmann, J.O. Birk, S. Holm-Dahlin, M. Bertelsen, U. Bengaard Hansen, M.A. Olsen, M. Christensen, K. Iversen, N.B. Christensen, H.M. Rønnow, P.G. Freeman, B.C. Hauback, R. Kolevatov, I. Llamas-Jansa, A. Orecchini, F. Sacchetti, C. Petrillo, A. Paciaroni, P. Tozzi, Zanatta, P. Luna, I. Herranz, O.G. Del Moral, M. Huerta, M. Magán, M. Mosconi, E. Abad, J. Aguilar, S. Stepanyan, G. Bakedano, R. Vivanco, I. Bustinduy, F. Sordo, J.L. Martínez, R.E. Lechner, F.J. Villacorta, J. Šaroun, P. Lukáš, M. Markó, M. Zanetti, S. Bellissima, L. Del Rosso, F. Masi, C. Bovo, M. Chowdhury, A. De Bonis, L. Di Fresco, C. Scatigno, S.F. Parker, Felix Fernandez-Alonso, D. Colognesi, R. Senesi, C. Andreani, G. Gorini, G. Scionti, A. Schreyer (2020). The instrument suite of the European Spallation Source. Nuclear Inst. and Methods in Physics Research, A 957 (2020) 163402.

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Alexander Rosu-Finsen, Alfred Amon, Jeff Armstrong, Felix Fernandez-Alonso, Christoph G. Salzmann (2020). Deep-Glassy Ice VI Revealed with a Combination of Neutron Spectroscopy and Diffraction. J. Phys. Chem. Lett. 2020, 11, 3, 1106–1111.

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A. Perrichon, Felix Fernandez-Alonso, M. Wolff, M. Karlsson, F. Demmel B (2019). A silicon analyser for the OSIRIS spectrometer: An analytical and Monte Carlo simulation study. Nuclear inst. & Meth. in Phys. Res. A, 947, 11 162740 (2019).

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Mattia Gaboardi, Francis Pratt, Chiara Milanese, James Taylor, Jay Siegel, Felix Fernandez-Alonso (2019). The interaction of hydrogen with corannulene, a promising new platform for energy storage. Carbon Volume 155, 432-437 (2019).

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D. T. Bowron, Felix Fernandez-Alonso, G. Jackson (2019). A tribute to Alan Soper – foreword by the editors. Molecular Physics 2019, VOL. 117, NO. 22, 3195–3196.

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Matthew Krzystyniak, Felix Fernandez-Alonso (2019). Proton Momentum Distributions in Strong Hydrogen Bonds in the Solid State. Proceedings 2019, 26(1), 5.

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M. Zanetti, S. Bellissima, L. Del Rosso, F. Masi, M. Chowdhury, A. De Bonis, L. Di Fresco, C. Scatigno, Jeff Armstrong, Svemir Rudić, S.F. Parker, M. Hartl, D. Colognesi, R. Senesi, C. Andreani, G. Gorini, Felix Fernandez-Alonso (2019). Neutronic developments on TOSCA and VESPA: Progress to date. Condensed Matter 562, 1 107-111 (2019).

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Carlos Cabrillo, Fabienne Barroso-Bujans, Silvina Cerveny, Ricardo Fernandez-Perea, Felix Fernandez-Alonso, Francisco Javier Bermejo (2019). Two-dimensional ordering in 1-propanol-graphite-oxide intercalates: isotopic effects. Molecular Physics, 117(22), 3434–3444.

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Maciej Krzystyniak, Giovanni Romanelli, Felix Fernandez-Alonso (2019). Non-destructive quantitation of hydrogen via mass-resolved neutron spectroscopy. Analyst, 2019,144, 3936-3941.

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Giovanni Romanelli, Triestino Minniti, Goran Škoro, Maciej Krzystyniak, James Taylor, Damian Fornalski, Felix Fernandez-Alonso (2019). Visualization of the Catalyzed Nuclear-Spin Conversion of Molecular Hydrogen Using Energy-Selective Neutron Imaging. J. Phys. Chem. C 2019, 123, 18, 11745–11751.

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D. Fornalski, V. García Sakai, S. Postorino, I. Silverwood, C. Goodway, J. Bones, O. Kirichek, Felix Fernandez-Alonso (2019). Simultaneous thermodynamic and dynamical characterisation using in situ calorimetry with neutron spectroscopy. Low Temp. Phys. 45, 289–293 (2019).

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Manuel Moratalla, Jonathan F. Gebbia, Miguel Angel Ramos, Luis Carlos Pardo, Sanghamitra Mukhopadhyay, Svemir Rudić, Felix Fernandez-Alonso, Francisco Javier Bermejo, Josep Lluis Tamarit (2019). Emergence of glassy features in halomethane crystals. Phys. Rev. B 99, 024301.

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