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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

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Reference TypeJournal (article/letter/editorial)
TitleOxide ion transport in Sr2Fe1.5Mo0.5O6−δ, a mixed ion-electron conductor: new insights from first principles modeling
JournalPhysical Chemistry Chemical Physics
AuthorsMuñoz-García, Ana B.Author
Pavone, MicheleAuthor
Ritzmann, Andrew M.Author
Carter, Emily A.Author
Year2013Volume15
Issue17
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c3cp50995hSearch in ResearchGate
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Mindat Ref. ID4018834Long-form Identifiermindat:1:5:4018834:4
GUID0
Full ReferenceMuñoz-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
Plain TextMuñoz-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
In(2013) Physical Chemistry Chemical Physics Vol. 15 (17) Royal Society of Chemistry (RSC)

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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
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
Ritzmann, Andrew M., Muñoz-García, Ana B., Pavone, Michele, Keith, John A., Carter, Emily A. (2013) Ab Initio DFT+U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-δ(x= 0, 0.25, 0.50). Chemistry of Materials, 25. 3011-3019 doi:10.1021/cm401052w
Muñoz-García, Ana B., Pavone, Michele, Carter, Emily A. (2011) Effect of Antisite Defects on the Formation of Oxygen Vacancies in Sr2FeMoO6: Implications for Ion and Electron Transport. Chemistry of Materials, 23. 4525-4536 doi:10.1021/cm201799c
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., 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
Pavone, Michele, Ritzmann, Andrew M., Carter, Emily A. (2011) Quantum-mechanics-based design principles for solid oxide fuel cell cathode materials. Energy & Environmental Science, 4 (12). 4933pp. doi:10.1039/c1ee02377b
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
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
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
 
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