Matches in SemOpenAlex for { <https://semopenalex.org/work/W3048609586> ?p ?o ?g. }
- W3048609586 endingPage "7246" @default.
- W3048609586 startingPage "7237" @default.
- W3048609586 abstract "After decades of development in Li-ion batteries, solid polymer electrolytes (SPEs) are currently experiencing a renaissance as a promising category of materials to be used in all-solid-state batteries. However, a fundamental understanding of their electrochemical properties in the battery environment is still lacking, which in turn limits the implementation of this prospective solution. With the aim of bridging this knowledge gap, we have assessed, through first-principles thermodynamics calculations based on atomic-scale modeling, the electrochemistry of a range of relevant polymer electrolyte hosts in their pristine form and also when doped with commonly used Li-ion salts. A significant change of the electrochemical stability window upon formation of the polymer/salt complexes was found. The mechanisms of the reduction and oxidation reactions are unveiled and correlated to the electronic structures and molecular structural relaxations. In the reduction process, the salt anions control the potentials due to bond cleavage that stabilize the reduced state. In the oxidation process, the mechanism is different with the charge being stabilized either on the polymer or on the salt anion depending on the complex formed. This assessment of the electrochemical stability of the polymer/salt complexes could serve as a guide for electrolyte design in SPE-based all-solid-state batteries." @default.
- W3048609586 created "2020-08-18" @default.
- W3048609586 creator A5002573178 @default.
- W3048609586 creator A5021350118 @default.
- W3048609586 creator A5041676312 @default.
- W3048609586 creator A5076815477 @default.
- W3048609586 creator A5083080615 @default.
- W3048609586 date "2020-08-11" @default.
- W3048609586 modified "2023-10-18" @default.
- W3048609586 title "Understanding the Electrochemical Stability Window of Polymer Electrolytes in Solid-State Batteries from Atomic-Scale Modeling: The Role of Li-Ion Salts" @default.
- W3048609586 cites W1025803122 @default.
- W3048609586 cites W1543893374 @default.
- W3048609586 cites W1846545360 @default.
- W3048609586 cites W1853337993 @default.
- W3048609586 cites W1946825093 @default.
- W3048609586 cites W1964102641 @default.
- W3048609586 cites W1971275758 @default.
- W3048609586 cites W1972767018 @default.
- W3048609586 cites W1975708211 @default.
- W3048609586 cites W1979453121 @default.
- W3048609586 cites W1995434344 @default.
- W3048609586 cites W2000798385 @default.
- W3048609586 cites W2005955052 @default.
- W3048609586 cites W2006318126 @default.
- W3048609586 cites W2007361815 @default.
- W3048609586 cites W2008431408 @default.
- W3048609586 cites W2011215428 @default.
- W3048609586 cites W2027910214 @default.
- W3048609586 cites W2033990154 @default.
- W3048609586 cites W2034137426 @default.
- W3048609586 cites W2034928716 @default.
- W3048609586 cites W2042261426 @default.
- W3048609586 cites W2046412723 @default.
- W3048609586 cites W2047021826 @default.
- W3048609586 cites W2047643249 @default.
- W3048609586 cites W2049996223 @default.
- W3048609586 cites W2051414526 @default.
- W3048609586 cites W2052579293 @default.
- W3048609586 cites W2056620288 @default.
- W3048609586 cites W2066168166 @default.
- W3048609586 cites W2066632109 @default.
- W3048609586 cites W2075989375 @default.
- W3048609586 cites W2089525884 @default.
- W3048609586 cites W2094386917 @default.
- W3048609586 cites W2132946797 @default.
- W3048609586 cites W2150697053 @default.
- W3048609586 cites W2167125797 @default.
- W3048609586 cites W2193795818 @default.
- W3048609586 cites W2202135044 @default.
- W3048609586 cites W2217948772 @default.
- W3048609586 cites W2237868774 @default.
- W3048609586 cites W2293904066 @default.
- W3048609586 cites W2294978050 @default.
- W3048609586 cites W2297042119 @default.
- W3048609586 cites W2300218923 @default.
- W3048609586 cites W2322684643 @default.
- W3048609586 cites W2325105709 @default.
- W3048609586 cites W2331458798 @default.
- W3048609586 cites W2566271412 @default.
- W3048609586 cites W2593815020 @default.
- W3048609586 cites W2594535137 @default.
- W3048609586 cites W2594668657 @default.
- W3048609586 cites W2607825147 @default.
- W3048609586 cites W2617094673 @default.
- W3048609586 cites W2769869433 @default.
- W3048609586 cites W2781386653 @default.
- W3048609586 cites W2781764295 @default.
- W3048609586 cites W2783387067 @default.
- W3048609586 cites W2792824331 @default.
- W3048609586 cites W2793025334 @default.
- W3048609586 cites W2801839046 @default.
- W3048609586 cites W2803196120 @default.
- W3048609586 cites W2882995456 @default.
- W3048609586 cites W2899138412 @default.
- W3048609586 cites W2902658101 @default.
- W3048609586 cites W2919418796 @default.
- W3048609586 cites W2924712344 @default.
- W3048609586 cites W2941718908 @default.
- W3048609586 cites W2947486803 @default.
- W3048609586 cites W2969412251 @default.
- W3048609586 cites W2973125641 @default.
- W3048609586 cites W2985025042 @default.
- W3048609586 cites W629034485 @default.
- W3048609586 cites W916625274 @default.
- W3048609586 doi "https://doi.org/10.1021/acs.chemmater.0c01489" @default.
- W3048609586 hasPublicationYear "2020" @default.
- W3048609586 type Work @default.
- W3048609586 sameAs 3048609586 @default.
- W3048609586 citedByCount "81" @default.
- W3048609586 countsByYear W30486095862020 @default.
- W3048609586 countsByYear W30486095862021 @default.
- W3048609586 countsByYear W30486095862022 @default.
- W3048609586 countsByYear W30486095862023 @default.
- W3048609586 crossrefType "journal-article" @default.
- W3048609586 hasAuthorship W3048609586A5002573178 @default.
- W3048609586 hasAuthorship W3048609586A5021350118 @default.
- W3048609586 hasAuthorship W3048609586A5041676312 @default.
- W3048609586 hasAuthorship W3048609586A5076815477 @default.