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Stamminger, Andreas R., Ziebarth, Benedikt, Mrovec, Matous, Hammerschmidt, Thomas, Drautz, Ralf (2020) Fast diffusion mechanism in Li4P2S6via a concerted process of interstitial Li ions. RSC Advances, 10 (18). 10715-10722 doi:10.1039/d0ra00932f

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Reference TypeJournal (article/letter/editorial)
TitleFast diffusion mechanism in Li4P2S6via a concerted process of interstitial Li ions
JournalRSC Advances
AuthorsStamminger, Andreas R.Author
Ziebarth, BenediktAuthor
Mrovec, MatousAuthor
Hammerschmidt, ThomasAuthor
Drautz, RalfAuthor
Year2020Volume10
Issue18
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d0ra00932fSearch in ResearchGate
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Mindat Ref. ID8133724Long-form Identifiermindat:1:5:8133724:4
GUID0
Full ReferenceStamminger, Andreas R., Ziebarth, Benedikt, Mrovec, Matous, Hammerschmidt, Thomas, Drautz, Ralf (2020) Fast diffusion mechanism in Li4P2S6via a concerted process of interstitial Li ions. RSC Advances, 10 (18). 10715-10722 doi:10.1039/d0ra00932f
Plain TextStamminger, Andreas R., Ziebarth, Benedikt, Mrovec, Matous, Hammerschmidt, Thomas, Drautz, Ralf (2020) Fast diffusion mechanism in Li4P2S6via a concerted process of interstitial Li ions. RSC Advances, 10 (18). 10715-10722 doi:10.1039/d0ra00932f
In(2020) RSC Advances Vol. 10 (18) Royal Society of Chemistry (RSC)

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Stamminger, Andreas R., Ziebarth, Benedikt, Mrovec, Matous, Hammerschmidt, Thomas, Drautz, Ralf (2019) Ionic Conductivity and Its Dependence on Structural Disorder in Halogenated Argyrodites Li6PS5X (X = Br, Cl, I). Chemistry of Materials, 31. 8673-8678 doi:10.1021/acs.chemmater.9b02047
Ziebarth, Benedikt, Mrovec, Matous, Elsässer, Christian, Gumbsch, Peter (2015) Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon. Physical Review B, 92 (11) doi:10.1103/physrevb.92.115309
Ziebarth, Benedikt, Mrovec, Matous, Elsässer, Christian, Gumbsch, Peter (2015) Interstitial iron impurities at cores of dissociated dislocations in silicon. Physical Review B, 92 (19) doi:10.1103/physrevb.92.195308
Ziebarth, Benedikt, Mrovec, Matous, Elsässer, Christian, Gumbsch, Peter (2015) Interstitial iron impurities at grain boundaries in silicon: A first-principles study. Physical Review B, 91 (3) doi:10.1103/physrevb.91.035309
Ziebarth, Benedikt, Mrovec, Matous, Elsässer, Christian, Gumbsch, Peter (2014) Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon. Journal of Applied Physics, 116 (9). 93510pp. doi:10.1063/1.4894007
Rinaldi, Matteo, Mrovec, Matous, Bochkarev, Anton, Lysogorskiy, Yury, Drautz, Ralf (2024) Non-collinear magnetic atomic cluster expansion for iron. npj Computational Materials, 10 (1). doi:10.1038/s41524-024-01196-8
Bienvenu, Baptiste; Todorova, Mira; Neugebauer, Jörg; Raabe, Dierk; Mrovec, Matous; Lysogorskiy, Yury; Drautz, Ralf (2025) Development of an atomic cluster expansion potential for iron and its oxides. npj Computational Materials, 11 (1). doi:10.1038/s41524-025-01574-w
Albina, Jan-Michael, Marusczyk, Anika, Hammerschmidt, Thomas, Eckl, Thomas, Drautz, Ralf (2018) Finite-temperature property-maps of Li–Mn–Ni–O cathode materials from ab initio calculations. Journal of Materials Chemistry A, 6. 5687-5694 doi:10.1039/c7ta07221j
Marusczyk, Anika, Albina, Jan-Michael, Hammerschmidt, Thomas, Drautz, Ralf, Eckl, Thomas, Henkelman, Graeme (2017) Oxygen activity and peroxide formation as charge compensation mechanisms in Li2MnO3. Journal of Materials Chemistry A, 5. 15183-15190 doi:10.1039/c7ta04164k
Hammerschmidt, Thomas, Madsen, Georg K. H., Rogal, Jutta, Drautz, Ralf (2011) From electrons to materials. physica status solidi (b), 248 (10). 2213-2221 doi:10.1002/pssb.201147121
Liang, Yanyan, Mrovec, Matous, Lysogorskiy, Yury, Vega-Paredes, Miquel, Scheu, Christina, Drautz, Ralf (2023) Atomic cluster expansion for Pt–Rh catalysts: From ab initio to the simulation of nanoclusters in few steps. Journal of Materials Research, 38 (24) 5125-5135 doi:10.1557/s43578-023-01123-5
 
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