FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2895885940> ?p ?o ?g. }

• W2895885940 endingPage "13311" @default.
• W2895885940 startingPage "13300" @default.
• W2895885940 abstract "Compositional tuning of nanoscale complex metal oxides (CMOs) can lead to enhanced performance and favorable properties for a variety of energy-related applications. However, investigations of the nanoscale CMOs used in energy storage technologies demonstrate that these nanomaterials may have an adverse biological impact, highlighting a fundamental knowledge gap between nanomaterial design and the structure and properties at the end of life. CMO nanomaterials can enter the environment due to improper disposal, where they undergo subsequent (as of yet poorly understood) nanoscale transformations that may affect biological response and, ultimately, environmental fate. This points to the need for studies at the nano-bio interface that can be used to shape rules for the redesign of CMOs: materials that are are potentially more benign by design and serve as examples of sustainable nanotechnology. The example given here is to enrich lithium nickel manganese cobalt oxide, Li x(Ni yMn zCo1- y- z)O2 (NMC), with Mn to create a family of materials that are less expensive and potentially less toxic to a wide range of organisms. In this paper, we investigate the structure and electronic states of Mn-rich NMC at the density functional theory (DFT) level to elucidate the interplay of redox properties, oxidation state, and coordination environment of a compositionally tuned CMO. We find that the oxidation states of Ni and Co remain mostly unaffected while Mn exists as both Mn2+ and Mn4+. Our models show that the ratio of Mn2+ and Mn4+ varies with changes in the coordination environment, such as the identity of neighboring atoms and surface OH group coverage. The surface metal release properties of Mn-rich NMC compositions are predicted using a DFT + solvent ion model and show that Mn-rich NMC compositions are inherently more prone to dissolution than NMC and that this is attributed to the changes in oxidation state of the transition metals in Mn-rich NMC." @default.
• W2895885940 created "2018-10-26" @default.
• W2895885940 creator A5000714567 @default.
• W2895885940 creator A5044102686 @default.
• W2895885940 creator A5045540729 @default.
• W2895885940 creator A5082177454 @default.
• W2895885940 date "2018-10-16" @default.
• W2895885940 modified "2023-10-06" @default.
• W2895885940 title "First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide" @default.
• W2895885940 cites W1965938594 @default.
• W2895885940 cites W1970844565 @default.
• W2895885940 cites W1978217514 @default.
• W2895885940 cites W1981368803 @default.
• W2895885940 cites W2011970149 @default.
• W2895885940 cites W2030976617 @default.
• W2895885940 cites W2036113194 @default.
• W2895885940 cites W2036576967 @default.
• W2895885940 cites W2043701535 @default.
• W2895885940 cites W2046066689 @default.
• W2895885940 cites W2049426807 @default.
• W2895885940 cites W2066285818 @default.
• W2895885940 cites W2072345280 @default.
• W2895885940 cites W2083788575 @default.
• W2895885940 cites W2084587981 @default.
• W2895885940 cites W2087585288 @default.
• W2895885940 cites W2120145199 @default.
• W2895885940 cites W2155064705 @default.
• W2895885940 cites W2159795178 @default.
• W2895885940 cites W2198766427 @default.
• W2895885940 cites W2224665581 @default.
• W2895885940 cites W2230728100 @default.
• W2895885940 cites W2237868774 @default.
• W2895885940 cites W2263659080 @default.
• W2895885940 cites W2310630741 @default.
• W2895885940 cites W2310703973 @default.
• W2895885940 cites W2331088898 @default.
• W2895885940 cites W2332028502 @default.
• W2895885940 cites W2510136453 @default.
• W2895885940 cites W2571636874 @default.
• W2895885940 cites W2583632220 @default.
• W2895885940 cites W2583825470 @default.
• W2895885940 cites W2587618243 @default.
• W2895885940 cites W2588297299 @default.
• W2895885940 cites W2590442689 @default.
• W2895885940 cites W2592736202 @default.
• W2895885940 cites W2600842780 @default.
• W2895885940 cites W2761046937 @default.
• W2895885940 cites W2767787517 @default.
• W2895885940 cites W2792214048 @default.
• W2895885940 cites W2796427792 @default.
• W2895885940 cites W2797910506 @default.
• W2895885940 cites W2802158368 @default.
• W2895885940 cites W2803363860 @default.
• W2895885940 cites W2807099269 @default.
• W2895885940 cites W2886033300 @default.
• W2895885940 cites W2918103722 @default.
• W2895885940 cites W2953329627 @default.
• W2895885940 cites W841751195 @default.
• W2895885940 doi "https://doi.org/10.1021/acs.inorgchem.8b01855" @default.
• W2895885940 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30351064" @default.
• W2895885940 hasPublicationYear "2018" @default.
• W2895885940 type Work @default.
• W2895885940 sameAs 2895885940 @default.
• W2895885940 citedByCount "28" @default.
• W2895885940 countsByYear W28958859402020 @default.
• W2895885940 countsByYear W28958859402021 @default.
• W2895885940 countsByYear W28958859402022 @default.
• W2895885940 countsByYear W28958859402023 @default.
• W2895885940 crossrefType "journal-article" @default.
• W2895885940 hasAuthorship W2895885940A5000714567 @default.
• W2895885940 hasAuthorship W2895885940A5044102686 @default.
• W2895885940 hasAuthorship W2895885940A5045540729 @default.
• W2895885940 hasAuthorship W2895885940A5082177454 @default.
• W2895885940 hasConcept C134018914 @default.
• W2895885940 hasConcept C138631740 @default.
• W2895885940 hasConcept C155672457 @default.
• W2895885940 hasConcept C171250308 @default.
• W2895885940 hasConcept C178790620 @default.
• W2895885940 hasConcept C179104552 @default.
• W2895885940 hasConcept C185592680 @default.
• W2895885940 hasConcept C192562407 @default.
• W2895885940 hasConcept C2778541603 @default.
• W2895885940 hasConcept C2778591166 @default.
• W2895885940 hasConcept C2779664699 @default.
• W2895885940 hasConcept C2779851234 @default.
• W2895885940 hasConcept C2993225395 @default.
• W2895885940 hasConcept C45206210 @default.
• W2895885940 hasConcept C504270822 @default.
• W2895885940 hasConcept C515602321 @default.
• W2895885940 hasConcept C528890316 @default.
• W2895885940 hasConcept C544153396 @default.
• W2895885940 hasConcept C71924100 @default.
• W2895885940 hasConceptScore W2895885940C134018914 @default.
• W2895885940 hasConceptScore W2895885940C138631740 @default.
• W2895885940 hasConceptScore W2895885940C155672457 @default.
• W2895885940 hasConceptScore W2895885940C171250308 @default.
• W2895885940 hasConceptScore W2895885940C178790620 @default.
• W2895885940 hasConceptScore W2895885940C179104552 @default.

• next