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Muñoz-García, Ana B., Pavone, Michele (2016) First-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6−δ Perovskite. Chemistry of Materials, 28. 490-500 doi:10.1021/acs.chemmater.5b03262

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Reference TypeJournal (article/letter/editorial)
TitleFirst-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6−δ Perovskite
JournalChemistry of Materials
AuthorsMuñoz-García, Ana B.Author
Pavone, MicheleAuthor
Year2016 (January 26)Volume28
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.chemmater.5b03262Search in ResearchGate
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Mindat Ref. ID4309672Long-form Identifiermindat:1:5:4309672:5
GUID0
Full ReferenceMuñoz-García, Ana B., Pavone, Michele (2016) First-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6−δ Perovskite. Chemistry of Materials, 28. 490-500 doi:10.1021/acs.chemmater.5b03262
Plain TextMuñoz-García, Ana B., Pavone, Michele (2016) First-Principles Design of New Electrodes for Proton-Conducting Solid-Oxide Electrochemical Cells: A-Site Doped Sr2Fe1.5Mo0.5O6−δ Perovskite. Chemistry of Materials, 28. 490-500 doi:10.1021/acs.chemmater.5b03262
In(2016) Chemistry of Materials Vol. 28. American Chemical Society (ACS)

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Muñoz-García, Ana B., Pavone, Michele (2017) K-doped Sr2Fe1.5Mo0.5O6−δ predicted as a bifunctional catalyst for air electrodes in proton-conducting solid oxide electrochemical cells. Journal of Materials Chemistry A, 5. 12735-12739 doi:10.1039/c7ta03340k
Muñoz-García, Ana B., Pavone, Michele, Ritzmann, Andrew M., Carter, Emily A. (2013) Oxide ion transport in Sr2Fe1.5Mo0.5O6−δ, a mixed ion-electron conductor: new insights from first principles modeling. Physical Chemistry Chemical Physics, 15 (17). 6250pp. doi:10.1039/c3cp50995h
Muñoz-García, Ana Belén, Tuccillo, Mariarosaria, Pavone, Michele (2017) Computational design of cobalt-free mixed proton–electron conductors for solid oxide electrochemical cells. Journal of Materials Chemistry A, 5. 11825-11833 doi:10.1039/c7ta00338b
Muñoz-García, Ana B., Bugaris, Daniel E., Pavone, Michele, Hodges, Jason P., Huq, Ashfia, Chen, Fanglin, zur Loye, Hans-Conrad, Carter, Emily A. (2012) Unveiling Structure–Property Relationships in Sr2Fe1.5Mo0.5O6−δ, an Electrode Material for Symmetric Solid Oxide Fuel Cells. Journal Of The American Chemical Society, 134 (15) 6826-6833 doi:10.1021/ja300831k
Langella, Aniello, Massaro, Arianna, Muñoz-García, Ana B., Pavone, Michele (2024) First-Principles Insights on Solid-State Phase Transitions in P2-NaxMnO2-Based High Energy Cathode during Na-Ion Battery Operations. Chemistry of Materials, 36 (5) 2370-2379 doi:10.1021/acs.chemmater.3c02981
Pecoraro, Adriana, Muñoz-García, Ana B., Sannino, Gennaro V., Veneri, Paola Delli, Pavone, Michele (2024) Exotic hexagonal NaCl atom-thin layer on methylammonium lead iodide perovskite: new hints for perovskite solar cells from first-principles calculations. Physical Chemistry Chemical Physics, 26 (3) 1602-1607 doi:10.1039/d3cp02712k
Massaro, Arianna, Fasulo, Francesca, Pecoraro, Adriana, Langella, Aniello, Muñoz-García, Ana B., Pavone, Michele (2023) First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives. Physical Chemistry Chemical Physics, 25 (28) Royal Society of Chemistry (RSC) 18623-18641 doi:10.1039/d3cp01201h
Pecoraro, Adriana, De Maria, Antonella, Delli Veneri, Paola, Pavone, Michele, Muñoz-García, Ana B. (2020) Interfacial electronic features in methyl-ammonium lead iodide and p-type oxide heterostructures: new insights for inverted perovskite solar cells. Physical Chemistry Chemical Physics, 22 (48) 28401-28413 doi:10.1039/d0cp05328g
Triggiani, Leonardo, Muñoz-García, Ana B., Agostiano, Angela, Pavone, Michele (2016) Promoting oxygen vacancy formation and p-type conductivity in SrTiO3via alkali metal doping: a first principles study. Physical Chemistry Chemical Physics, 18 (41). 28951-28959 doi:10.1039/c6cp05089a
Pavone, Michele, Muñoz-García, Ana B., Ritzmann, Andrew M., Carter, Emily A. (2014) First-Principles Study of Lanthanum Strontium Manganite: Insights into Electronic Structure and Oxygen Vacancy Formation. The Journal of Physical Chemistry C, 118 (25). 13346-13356 doi:10.1021/jp500352h
Massaro, Arianna, Lingua, Gabriele, Bozza, Francesco, Piovano, Alessandro, Prosini, Pier Paolo, Muñoz-García, Ana B., Pavone, Michele, Gerbaldi, Claudio (2024) P2-Type Na0.84Li0.1Ni0.27Mn0.63O2-Layered Oxide Na-Ion Battery Cathode: Structural Insights and Electrochemical Compatibility with Room-Temperature Ionic Liquids. Chemistry of Materials, 36 (14) 7046-7055 doi:10.1021/acs.chemmater.4c01311
 
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