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Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries.
Cherkashinin G, Eilhardt R, Nappini S, Cococcioni M, Píš I, Dal Zilio S, Bondino F, Marzari N, Magnano E, Alff L. Cherkashinin G, et al. Among authors: cococcioni m. ACS Appl Mater Interfaces. 2022 Jan 12;14(1):543-556. doi: 10.1021/acsami.1c16296. Epub 2021 Dec 21. ACS Appl Mater Interfaces. 2022. PMID: 34932299
The Different Story of π Bonds.
Cappelletti M, Leccese M, Cococcioni M, Proserpio DM, Martinazzo R. Cappelletti M, et al. Among authors: cococcioni m. Molecules. 2021 Jun 22;26(13):3805. doi: 10.3390/molecules26133805. Molecules. 2021. PMID: 34206583 Free PMC article.
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA Jr, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: cococcioni m. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
24 results