Dario Marrocchelli

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Sean R. BishopSandia National LaboratoriesVerified email at sandia.gov
Bilge YildizProfessor, Massachusetts Institute of TechnologyVerified email at mit.edu
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
Mathieu SalanneSorbonne Université & Institut Universitaire de FranceVerified email at sorbonne-universite.fr
Nicola H PerryUniversity of Illinois Urbana-ChampaignVerified email at illinois.edu
Mario BurbanoPost-doctoral researcherVerified email at tcd.ie
James W. E. DrewittLecturer of Physics, University of BristolVerified email at bristol.ac.uk
Anita ZeidlerPhysics Department, University of BathVerified email at bath.ac.uk
Philip SalmonDepartment of Physics, University of BathVerified email at bath.ac.uk
Dean Whittakernational physical laboratoryVerified email at npl.co.uk
Di Chen （陈迪）Tsinghua UniversityVerified email at tsinghua.edu.cn
JTS IrvineProfessor of Chemistry, University of St AndrewsVerified email at st-and.ac.uk
Celine MerletCNRS Researcher, CIRIMAT - Université Paul Sabatier (Toulouse)Verified email at chimie.ups-tlse.fr
Jeong Woo HanMaterials Science and Engineering, Seoul National UniversityVerified email at snu.ac.kr
Emiliana FabbriPaul Scherrer InstitutVerified email at psi.ch
Jennifer RuppProfessor TU Munich & Visiting Professor MITVerified email at tum.de
Matt TuckerDiffraction Section Head, ORNLVerified email at ornl.gov
Henry E. FischerPhysicist, Institut Laue-Langevin, Grenoble, FranceVerified email at ill.fr
sean mcsweeneyDept Director Photon Sciences Division, NSLS-IIVerified email at bnl.gov
Dipankar Das Sarma (D D Sarma)Indian Institute of ScienceVerified email at iisc.ac.in

Dario Marrocchelli

Ex MIT

Verified email at mit.edu

Computer modeling DFT MD Solid Oxide Fuel Cells Li-ion Batteries


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Understanding chemical expansion in non‐stoichiometric oxides: ceria and zirconia case studies D Marrocchelli, SR Bishop, HL Tuller, B Yildiz Advanced Functional Materials 22 (9), 1958-1965, 2012	415	2012
Chemical expansion: implications for electrochemical energy storage and conversion devices SR Bishop, D Marrocchelli, C Chatzichristodoulou, NH Perry, ... Annual Review of Materials Research 44 (1), 205-239, 2014	256	2014
Edge dislocation slows down oxide ion diffusion in doped CeO₂ by segregation of charged defects L Sun, D Marrocchelli, B Yildiz Nature communications 6 (1), 6294, 2015	211	2015
Dislocations in SrTiO₃: Easy To Reduce but Not so Fast for Oxygen Transport D Marrocchelli, L Sun, B Yildiz Journal of the American Chemical Society 137 (14), 4735-4748, 2015	186	2015
Oxygen vacancy ordering within anion-deficient ceria S Hull, ST Norberg, I Ahmed, SG Eriksson, D Marrocchelli, PA Madden Journal of Solid State Chemistry 182 (10), 2815-2821, 2009	135	2009
Oxygen Vacancy Ordering and the Conductivity Maximum in Y₂O₃-Doped CeO₂ M Burbano, ST Norberg, S Hull, SG Eriksson, D Marrocchelli, PA Madden, ... Chemistry of Materials 24 (1), 222-229, 2012	133	2012
Understanding chemical expansion in perovskite-structured oxides D Marrocchelli, NH Perry, SR Bishop Physical Chemistry Chemical Physics 17 (15), 10028-10039, 2015	128	2015
First-Principles Assessment of H₂S and H₂O Reaction Mechanisms and the Subsequent Hydrogen Absorption on the CeO₂(111) Surface D Marrocchelli, B Yildiz The Journal of Physical Chemistry C 116 (3), 2411-2424, 2012	124	2012
Scalable oxygen‐ion transport kinetics in metal‐oxide films: impact of thermally induced lattice compaction in acceptor doped ceria films JLM Rupp, E Fabbri, D Marrocchelli, JW Han, D Chen, E Traversa, ... Advanced Functional Materials 24 (11), 1562-1574, 2014	105	2014
Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum. D Marrocchelli, PA Madden, ST Norberg, S Hull Chemistry of Materials 23 (6), 1365-1373, 2011	97	2011
Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO2 glass up to 17.5 GPa PS Salmon, JWE Drewitt, DAJ Whittaker, A Zeidler, K Wezka, CL Bull, ... Journal of Physics: Condensed Matter 24 (41), 415102, 2012	90	2012
Ceria co-doping: synergistic or average effect? M Burbano, S Nadin, D Marrocchelli, M Salanne, GW Watson Physical Chemistry Chemical Physics 16 (18), 8320-8331, 2014	87	2014
Charge localization increases chemical expansion in cerium-based oxides D Marrocchelli, SR Bishop, HL Tuller, GW Watson, B Yildiz Physical Chemistry Chemical Physics 14 (35), 12070-12074, 2012	87	2012
High-pressure behaviour of GeO2: a simulation study D Marrocchelli, M Salanne, PA Madden Journal of Physics: Condensed Matter 22 (15), 152102, 2010	84	2010
Structural Disorder in Doped Zirconias, Part I: The Zr_0.8Sc_0.2−xY_xO_1.9 (0.0 ≤ x ≤ 0.2) System ST Norberg, S Hull, I Ahmed, SG Eriksson, D Marrocchelli, PA Madden, ... Chemistry of Materials 23 (6), 1356-1364, 2011	82	2011
Chemical expansion and its dependence on the host cation radius D Marrocchelli, SR Bishop, J Kilner Journal of Materials Chemistry A 1 (26), 7673-7680, 2013	68	2013
The construction of a reliable potential for GeO2 from first principles D Marrocchelli, M Salanne, PA Madden, C Simon, P Turq Molecular Physics 107 (4-6), 443-452, 2009	64	2009
Local structure and ionic conductivity in the Zr2Y2O7–Y3NbO7 system ST Norberg, I Ahmed, S Hull, D Marrocchelli, PA Madden J. Phys.: Condens. Matter 21 (215401), 215401, 2009	63	2009
Thermal conductivity of ionic systems from equilibrium molecular dynamics M Salanne, D Marrocchelli, C Merlet, N Ohtori, PA Madden Journal of Physics: Condensed Matter 23 (10), 102101, 2011	60	2011
Reducing the chemical expansion coefficient in ceria by addition of zirconia SR Bishop, D Marrocchelli, W Fang, K Amezawa, K Yashiro, GW Watson Energy & Environmental Science 6 (4), 1142-1146, 2013	54	2013

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