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Graužinytė, Miglė, Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan, Flores-Livas, José A. (2019) Computational acceleration of prospective dopant discovery in cuprous iodide. Physical Chemistry Chemical Physics, 21 (35). 18839-18849 doi:10.1039/c9cp02711d

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Reference TypeJournal (article/letter/editorial)
TitleComputational acceleration of prospective dopant discovery in cuprous iodide
JournalPhysical Chemistry Chemical Physics
AuthorsGraužinytė, MiglėAuthor
Botti, SilvanaAuthor
Marques, Miguel A. L.Author
Goedecker, StefanAuthor
Flores-Livas, José A.Author
Year2019Volume21
Issue35
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c9cp02711dSearch in ResearchGate
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Mindat Ref. ID4037602Long-form Identifiermindat:1:5:4037602:8
GUID0
Full ReferenceGraužinytė, Miglė, Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan, Flores-Livas, José A. (2019) Computational acceleration of prospective dopant discovery in cuprous iodide. Physical Chemistry Chemical Physics, 21 (35). 18839-18849 doi:10.1039/c9cp02711d
Plain TextGraužinytė, Miglė, Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan, Flores-Livas, José A. (2019) Computational acceleration of prospective dopant discovery in cuprous iodide. Physical Chemistry Chemical Physics, 21 (35). 18839-18849 doi:10.1039/c9cp02711d
In(2019) Physical Chemistry Chemical Physics Vol. 21 (35) Royal Society of Chemistry (RSC)

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Flores-Livas, José A., Sanna, Antonio, Graužinytė, Miglė, Davydov, Arkadiy, Goedecker, Stefan, Marques, Miguel A. L. (2017) Emergence of superconductivity in doped H2O ice at high pressure. Scientific Reports, 7. doi:10.1038/s41598-017-07145-4
Graužinytė, Miglė, Goedecker, Stefan, Flores-Livas, José A. (2017) Computational Screening of Useful Hole–Electron Dopants in SnO2. Chemistry of Materials, 29. 10095-10103 doi:10.1021/acs.chemmater.7b03862
Amsler, Maximilian, Flores-Livas, José A., Huan, Tran Doan, Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan (2012) Novel Structural Motifs in Low Energy Phases ofLiAlH4. Physical Review Letters, 108 (20). doi:10.1103/physrevlett.108.205505
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Botti, Silvana, Flores-Livas, José A., Amsler, Maximilian, Goedecker, Stefan, Marques, Miguel A. L. (2012) Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications. Physical Review B, 86 (12) doi:10.1103/physrevb.86.121204
Amsler, Maximilian, Flores-Livas, José A., Marques, Miguel A.L., Botti, Silvana, Goedecker, Stefan (2013) Prediction of a novel monoclinic carbon allotrope. The European Physical Journal B, 86 (9). doi:10.1140/epjb/e2013-40639-4
Flores-Livas, José A., Amsler, Maximilian, Lenosky, Thomas J., Lehtovaara, Lauri, Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan (2012) High-Pressure Structures of Disilane and Their Superconducting Properties. Physical Review Letters, 108 (11). doi:10.1103/physrevlett.108.117004
Amsler, Maximilian, Flores-Livas, José A., Botti, Silvana, Marques, Miguel A. L., Goedecker, Stefan (2014) Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach”. Physical Review Letters, 112 (19). doi:10.1103/physrevlett.112.199801
Graužinytė, Miglė, Tomerini, Daniele, Goedecker, Stefan, Flores-Livas, José A. (2019) Divalent Path to Enhance p-Type Conductivity in a SnO Transparent Semiconductor. The Journal of Physical Chemistry C, 123 (24). 14909-14913 doi:10.1021/acs.jpcc.9b02049
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