Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Loredana Edith-Daga"'
Autor:
Maddalena D'Amore, Loredana Edith Daga, Riccardo Rocca, Mauro Francesco Sgroi, Naiara Leticia Marana, Silvia Maria Casassa, Lorenzo Maschio, Anna Maria Ferrari
Publikováno v:
Physical Chemistry Chemical Physics. 24:22978-22986
Lithium superionic conductor electrolytes may enable the safe use of metallic lithium anodes in all-solid-state batteries. The incoming formation of interphases may play an essential role in the stability of the solid electrolyte.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c685dabc56ff7e45c0bd8806ccb37e2
https://doi.org/10.1039/d2cp03599e
https://doi.org/10.1039/d2cp03599e
Autor:
Alessandro Erba, Jacques K. Desmarais, Silvia Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J. Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara L. Marana, Jean-Pierre Flament, Bernard Kirtman
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, 2022, ⟨10.1021/acs.jctc.2c00958⟩
Journal of Chemical Theory and Computation, 2022, ⟨10.1021/acs.jctc.2c00958⟩
International audience; The Crystal program for quantum-mechanical simulations of materials has been bridging the realm of molecular quantum chemistry to the realm of solid state physics for many years, since its first public version released back in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::549f37fb18cf1695fada89b69495406e
https://hal.science/hal-03902668
https://hal.science/hal-03902668
Autor:
Maddalena, D'Amore, Loredana Edith, Daga, Riccardo, Rocca, Mauro Francesco, Sgroi, Naiara Leticia, Marana, Silvia Maria, Casassa, Lorenzo, Maschio, Anna Maria, Ferrari
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(37)
Lithium superionic conductor electrolytes may enable the safe use of metallic lithium anodes in all-solid-state batteries. The key to a successful application is a high Li conductivity in the electrolyte material, to be achieved through the maintenan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::f6941c91826533fcab5021cb88c0e52d
https://pubmed.ncbi.nlm.nih.gov/36125328
https://pubmed.ncbi.nlm.nih.gov/36125328
Autor:
Eleonora Ascrizzi, Silvia Casassa, Loredana Edith Daga, Atreyi Dasmahapatra, Lorenzo Maschio, Antti J Karttunen, Stefano Boldrini, Alberto Ferrario, Carlo Fanciulli, Francesco Aversano, Marcello Baricco, Alberto Castellero
Publikováno v:
Nanotechnology. 34:315703
Funding Information: Authors acknowledge the CINECA award under the ISCRA initiative, for the availability of high-performance computing resources and support. S. Casassa, L. Maschio, M. Baricco and A. Castellero acknowledge support from the Project
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05a5c6669ecec7ca2c48fae735805bcc
https://doi.org/10.1088/1361-6528/acd120
https://doi.org/10.1088/1361-6528/acd120
Autor:
Lorenzo Maschio, Loredana Edith Daga
Publikováno v:
Journal of Chemical Theory and Computation
The maximum overlap method (MOM) has emerged from molecular quantum chemistry as a convenient practical procedure for studying excited states. Unlike the Aufbau principle, during self-consistent field (SCF) iterations, the MOM forces orbital occupati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19a1bce92619c165519640bc34ae749e
https://pubmed.ncbi.nlm.nih.gov/34591492
https://pubmed.ncbi.nlm.nih.gov/34591492
Publikováno v:
Journal of Chemical Theory and Computation
It is customary in molecular quantum chemistry to adopt basis set libraries in which the basis sets are classified according to either their size (triple-ζ, quadruple-ζ, ...) and the method/property they are optimal for (correlation-consistent, lin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eb6ae540fa6770211ec0b19840c143c
https://pubmed.ncbi.nlm.nih.gov/32212698
https://pubmed.ncbi.nlm.nih.gov/32212698