Matches in SemOpenAlex for { <https://semopenalex.org/work/W2135071810> ?p ?o ?g. }
- W2135071810 endingPage "1313" @default.
- W2135071810 startingPage "1307" @default.
- W2135071810 abstract "Various polymorphs of MnO2 are widely used as electrode materials in Li/MnO2 batteries. Electrolytic manganese dioxide (EMD) is the most electrochemically active form of MnO2 and is very difficult to characterize. Their structural details are still largely unknown owing to the poor quality of X-ray diffraction (XRD) patterns obtained from most MnO2 samples. Simulated amorphisation and crystallization technique was used to derive microstructural models for Li–MnO2 which included most microstructural details that one would expect to find in the real material. Specifically, pyrolusite-MnO2, comprising about 25 000 atoms, was amorphised (strain-induced) under molecular dynamics (MD) and different concentrations of lithium ions were inserted. Each system was then crystallized under MD simulation. The resulting models conformed to the pyrolusite polymorph, with microstructural features including: extensive micro-twinning and more general grain-boundaries, stacking faults, dislocations and isolated point defects and defect clusters. Molecular graphical images, showing the atom positions for the microstructural features together with simulated XRD patterns they give rise to, are presented and compared with measured XRD. The calculated XRD are in accord with experiment thus validating the structural models." @default.
- W2135071810 created "2016-06-24" @default.
- W2135071810 creator A5002787729 @default.
- W2135071810 creator A5019828186 @default.
- W2135071810 creator A5046167123 @default.
- W2135071810 creator A5056612261 @default.
- W2135071810 date "2011-01-01" @default.
- W2135071810 modified "2023-09-23" @default.
- W2135071810 title "Amorphization and recrystallization study of lithium insertion into manganese dioxide" @default.
- W2135071810 cites W1968605377 @default.
- W2135071810 cites W1973040371 @default.
- W2135071810 cites W1986139627 @default.
- W2135071810 cites W1988291267 @default.
- W2135071810 cites W1990126221 @default.
- W2135071810 cites W1990753487 @default.
- W2135071810 cites W1993385169 @default.
- W2135071810 cites W1996410454 @default.
- W2135071810 cites W1997700735 @default.
- W2135071810 cites W2000981502 @default.
- W2135071810 cites W2016373294 @default.
- W2135071810 cites W2044769164 @default.
- W2135071810 cites W2056011834 @default.
- W2135071810 cites W2057314396 @default.
- W2135071810 cites W2093143346 @default.
- W2135071810 cites W2095017415 @default.
- W2135071810 cites W2121069193 @default.
- W2135071810 cites W2135380974 @default.
- W2135071810 cites W2166917459 @default.
- W2135071810 cites W2314854475 @default.
- W2135071810 cites W2322045889 @default.
- W2135071810 cites W2326784881 @default.
- W2135071810 doi "https://doi.org/10.1039/c0cp00274g" @default.
- W2135071810 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21116559" @default.
- W2135071810 hasPublicationYear "2011" @default.
- W2135071810 type Work @default.
- W2135071810 sameAs 2135071810 @default.
- W2135071810 citedByCount "17" @default.
- W2135071810 countsByYear W21350718102013 @default.
- W2135071810 countsByYear W21350718102014 @default.
- W2135071810 countsByYear W21350718102015 @default.
- W2135071810 countsByYear W21350718102016 @default.
- W2135071810 countsByYear W21350718102017 @default.
- W2135071810 countsByYear W21350718102019 @default.
- W2135071810 countsByYear W21350718102020 @default.
- W2135071810 countsByYear W21350718102022 @default.
- W2135071810 crossrefType "journal-article" @default.
- W2135071810 hasAuthorship W2135071810A5002787729 @default.
- W2135071810 hasAuthorship W2135071810A5019828186 @default.
- W2135071810 hasAuthorship W2135071810A5046167123 @default.
- W2135071810 hasAuthorship W2135071810A5056612261 @default.
- W2135071810 hasConcept C147597530 @default.
- W2135071810 hasConcept C151730666 @default.
- W2135071810 hasConcept C164675345 @default.
- W2135071810 hasConcept C178790620 @default.
- W2135071810 hasConcept C185592680 @default.
- W2135071810 hasConcept C191897082 @default.
- W2135071810 hasConcept C192562407 @default.
- W2135071810 hasConcept C195702682 @default.
- W2135071810 hasConcept C2778818709 @default.
- W2135071810 hasConcept C33347731 @default.
- W2135071810 hasConcept C528890316 @default.
- W2135071810 hasConcept C59593255 @default.
- W2135071810 hasConcept C6840138 @default.
- W2135071810 hasConcept C8010536 @default.
- W2135071810 hasConcept C86803240 @default.
- W2135071810 hasConcept C87976508 @default.
- W2135071810 hasConceptScore W2135071810C147597530 @default.
- W2135071810 hasConceptScore W2135071810C151730666 @default.
- W2135071810 hasConceptScore W2135071810C164675345 @default.
- W2135071810 hasConceptScore W2135071810C178790620 @default.
- W2135071810 hasConceptScore W2135071810C185592680 @default.
- W2135071810 hasConceptScore W2135071810C191897082 @default.
- W2135071810 hasConceptScore W2135071810C192562407 @default.
- W2135071810 hasConceptScore W2135071810C195702682 @default.
- W2135071810 hasConceptScore W2135071810C2778818709 @default.
- W2135071810 hasConceptScore W2135071810C33347731 @default.
- W2135071810 hasConceptScore W2135071810C528890316 @default.
- W2135071810 hasConceptScore W2135071810C59593255 @default.
- W2135071810 hasConceptScore W2135071810C6840138 @default.
- W2135071810 hasConceptScore W2135071810C8010536 @default.
- W2135071810 hasConceptScore W2135071810C86803240 @default.
- W2135071810 hasConceptScore W2135071810C87976508 @default.
- W2135071810 hasIssue "4" @default.
- W2135071810 hasLocation W21350718101 @default.
- W2135071810 hasLocation W21350718102 @default.
- W2135071810 hasOpenAccess W2135071810 @default.
- W2135071810 hasPrimaryLocation W21350718101 @default.
- W2135071810 hasRelatedWork W2022587255 @default.
- W2135071810 hasRelatedWork W2026122006 @default.
- W2135071810 hasRelatedWork W2033723103 @default.
- W2135071810 hasRelatedWork W2043005484 @default.
- W2135071810 hasRelatedWork W2050272949 @default.
- W2135071810 hasRelatedWork W2066309984 @default.
- W2135071810 hasRelatedWork W2095017415 @default.
- W2135071810 hasRelatedWork W4205814902 @default.
- W2135071810 hasRelatedWork W4214614146 @default.
- W2135071810 hasRelatedWork W4239276844 @default.
- W2135071810 hasVolume "13" @default.