All Stories

  1. Dislocations in SrTiO 3 : Easy To Reduce but Not so Fast for Oxygen Transport

    Article • Journal of the American Chemical Society, April 2015, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  2. Edge dislocation slows down oxide ion diffusion in doped CeO2 by segregation of charged defects

    Article • Nature Communications, February 2015, Springer Science + Business Media

    Dr Dario Marrocchelli

  3. Understanding chemical expansion in perovskite-structured oxides

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Dario Marrocchelli

  4. Chemical Expansion: Implications for Electrochemical Energy Storage and Conversion Devices

    Article • Annual Review of Materials Science, July 2014, Annual Reviews

    Dr Dario Marrocchelli

  5. The effect of dispersion interactions on the properties of LiF in condensed phases

    Article • Journal of Physics Condensed Matter, May 2014, Institute of Physics Publishing

    Dr Dario Marrocchelli

  6. Editorial for the JECR special issue on electro-chemo-mechanics

    Article • Journal of Electroceramics, February 2014, Springer Science + Business Media

    Dr Dario Marrocchelli

  7. Scalable Oxygen-Ion Transport Kinetics in Metal-Oxide Films: Impact of Thermally Induced Lattice Compaction in Acceptor Doped Ceria Films

    Article • Advanced Functional Materials, January 2014, Wiley

    Professor Enrico Traversa, Dr Dario Marrocchelli

  8. Defining chemical expansion: the choice of units for the stoichiometric expansion coefficient

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Dario Marrocchelli

  9. Ceria co-doping: synergistic or average effect?

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Dario Marrocchelli

  10. Strain effects on the ionic conductivity of Y-doped ceria: A simulation study

    Article • Journal of Electroceramics, November 2013, Springer Science + Business Media

    Dr Dario Marrocchelli

  11. Isolating the Role of Charge Localization in Chemical Expansion: (La,Sr)(Ga,Ni)O3-X Case Study

    Article • ECS Transactions, October 2013, The Electrochemical Society

    Dr Dario Marrocchelli

  12. Chemical Expansion in SOFC Materials: Ramifications, Origins, and Mitigation

    Article • ECS Transactions, October 2013, The Electrochemical Society

    Dr Dario Marrocchelli

  13. Effects of Li-ion vacancies on the ionic conduction mechanism of LiMgSO 4 F

    Article • Modelling and Simulation in Materials Science and Engineering, October 2013, Institute of Physics Publishing

    Dr Dario Marrocchelli

  14. Reducing the chemical expansion coefficient in ceria by addition of zirconia

    Article • Energy & Environmental Science, January 2013, Royal Society of Chemistry

    Dr Dario Marrocchelli

  15. Chemical expansion and its dependence on the host cation radius

    Article • Journal of Materials Chemistry A, January 2013, Royal Society of Chemistry

    Dr Dario Marrocchelli

  16. Mechanisms of network collapse in GeO 2 glass: high-pressure neutron diffraction with isotope substitution as arbitrator of competing models

    Article • Journal of Physics Condensed Matter, November 2012, Institute of Physics Publishing

    Dr Dario Marrocchelli, Professor Philip S Salmon

  17. Erratum: Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO 2 glass up to 17.5 GPa

    Article • Journal of Physics Condensed Matter, October 2012, Institute of Physics Publishing

    Dr Dario Marrocchelli, Professor Philip S Salmon

  18. Anomalous Chemical Expansion Behavior of Pr0.2Ce0.8O2-  Thin Films Grown by Pulsed Laser Deposition

    Article • Journal of The Electrochemical Society, September 2012, The Electrochemical Society

    Dr Dario Marrocchelli

  19. Cooperative Mechanism for the Diffusion of Li + Ions in LiMgSO 4 F

    Article • The Journal of Physical Chemistry C, September 2012, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  20. Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO 2 glass up to 17.5 GPa

    Article • Journal of Physics Condensed Matter, September 2012, Institute of Physics Publishing

    Dr Dario Marrocchelli, Professor Philip S Salmon

  21. Understanding Chemical Expansion in Non-Stoichiometric Oxides: Ceria and Zirconia Case Studies

    Article • Advanced Functional Materials, February 2012, Wiley

    Dr Dario Marrocchelli

  22. First-Principles Assessment of H 2 S and H 2 O Reaction Mechanisms and the Subsequent Hydrogen Absorption on the CeO 2 (111) Surface

    Article • The Journal of Physical Chemistry C, January 2012, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  23. Oxygen Vacancy Ordering and the Conductivity Maximum in Y 2 O 3 -Doped CeO 2

    Article • Chemistry of Materials, January 2012, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  24. Charge localization increases chemical expansion in cerium-based oxides

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Dario Marrocchelli

  25. A dipole polarizable potential for reduced and doped CeO 2 obtained from first principles

    Article • Journal of Physics Condensed Matter, June 2011, Institute of Physics Publishing

    Dr Dario Marrocchelli

  26. Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum.

    Article • Chemistry of Materials, March 2011, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  27. Structural Disorder in Doped Zirconias, Part I: The Zr 0.8 Sc 0.2− x Y x O 1.9 (0.0 ≤ x ≤ 0.2) System

    Article • Chemistry of Materials, March 2011, American Chemical Society (ACS)

    Dr Dario Marrocchelli

  28. Thermal conductivity of ionic systems from equilibrium molecular dynamics

    Article • Journal of Physics Condensed Matter, February 2011, Institute of Physics Publishing

    Dr Dario Marrocchelli

  29. High-pressure behaviour of GeO 2 : a simulation study

    Article • Journal of Physics Condensed Matter, March 2010, Institute of Physics Publishing

    Dr Dario Marrocchelli

  30. Oxygen vacancy ordering within anion-deficient Ceria

    Article • Journal of Solid State Chemistry, October 2009, Elsevier

    Dr Dario Marrocchelli

  31. Cation composition effects on oxide conductivity in the Zr 2 Y 2 O 7 –Y 3 NbO 7 system

    Article • Journal of Physics Condensed Matter, September 2009, Institute of Physics Publishing

    Dr Dario Marrocchelli

  32. Local structure and ionic conductivity in the Zr 2 Y 2 O 7 –Y 3 NbO 7 system

    Article • Journal of Physics Condensed Matter, April 2009, Institute of Physics Publishing

    Dr Dario Marrocchelli

  33. The construction of a reliable potential for GeO2 from first principles

    Article • Molecular Physics, February 2009, Taylor & Francis

    Dr Dario Marrocchelli

  34. Online collection and analysis of X-ray fluorescence spectra on the macromolecular crystallography beamlines of the ESRF

    Article • Journal of Applied Crystallography, February 2009, International Union of Crystallography

    Dr Dario Marrocchelli, Didier Nurizzo

  35. Conduction and Disorder in Y3NbO7 - Zr2Y2O7

    Article • MRS Proceedings, January 2008, Cambridge University Press

    Dr Dario Marrocchelli

  36. Pressure and temperature dependence of the Fano resonance in the Raman spectrum of A 2 Fe Mo O 6 systems ( A = Sr , Ca )

    Article • Physical Review B, November 2007, American Physical Society (APS)

    Dr Dario Marrocchelli