Matches in SemOpenAlex for { <https://semopenalex.org/work/W3183321359> ?p ?o ?g. }
Showing items 1 to 70 of
70
with 100 items per page.
- W3183321359 abstract "Oxyhydrides in the series La₂ – ySryLiH₁ ₊ yO₃ – y are attractive materials for solid-state hydride electrolytes. However, their chemical stability is poor, and thus far only La₂LiHO₃ (y = 0) has been demonstrated in a working fuel cell. Using a first-principles approach to study defect chemistry and stability, we find that La₂LiHO₃ can be stabilized over a range of H-rich, O-poor chemical conditions, while Sr₂LiH₃O has low stability. Defects are critical for ionic transport and for stability, particularly in Sr₂LiH₃O, in which anion antisites and H vacancies readily form. In fact, we show that the ground-state structure of Sr₂LiH₃O is inherently disordered. La₂LiHO₃ has low conductivity, which we connect to the high formation energy of defects such as VO and OH that are necessary for hydride conduction. When Sr₂LiH₃O is grown under carefully selected conditions, VH⁺ defects can be made prevalent; these defects give rise to much higher ionic conductivity than can be obtained in La₂LiHO₃. In general, we show that the choice of synthesis conditions is vital when seeking to optimize the stability and ionic conductivity of these oxyhydrides, thereby tailoring them for use in solid-state hydrogen fuel cells." @default.
- W3183321359 created "2021-08-02" @default.
- W3183321359 creator A5001841064 @default.
- W3183321359 creator A5011828643 @default.
- W3183321359 creator A5051902238 @default.
- W3183321359 date "2021-01-01" @default.
- W3183321359 modified "2023-09-26" @default.
- W3183321359 title "Defect Chemistry and Hydrogen Transport in La/Sr-Based Oxyhydrides" @default.
- W3183321359 hasPublicationYear "2021" @default.
- W3183321359 type Work @default.
- W3183321359 sameAs 3183321359 @default.
- W3183321359 citedByCount "0" @default.
- W3183321359 crossrefType "journal-article" @default.
- W3183321359 hasAuthorship W3183321359A5001841064 @default.
- W3183321359 hasAuthorship W3183321359A5011828643 @default.
- W3183321359 hasAuthorship W3183321359A5051902238 @default.
- W3183321359 hasConcept C131540310 @default.
- W3183321359 hasConcept C138679309 @default.
- W3183321359 hasConcept C145148216 @default.
- W3183321359 hasConcept C147789679 @default.
- W3183321359 hasConcept C159467904 @default.
- W3183321359 hasConcept C17525397 @default.
- W3183321359 hasConcept C178790620 @default.
- W3183321359 hasConcept C179104552 @default.
- W3183321359 hasConcept C185592680 @default.
- W3183321359 hasConcept C186399102 @default.
- W3183321359 hasConcept C2182769 @default.
- W3183321359 hasConcept C2777961443 @default.
- W3183321359 hasConcept C512968161 @default.
- W3183321359 hasConcept C68801617 @default.
- W3183321359 hasConceptScore W3183321359C131540310 @default.
- W3183321359 hasConceptScore W3183321359C138679309 @default.
- W3183321359 hasConceptScore W3183321359C145148216 @default.
- W3183321359 hasConceptScore W3183321359C147789679 @default.
- W3183321359 hasConceptScore W3183321359C159467904 @default.
- W3183321359 hasConceptScore W3183321359C17525397 @default.
- W3183321359 hasConceptScore W3183321359C178790620 @default.
- W3183321359 hasConceptScore W3183321359C179104552 @default.
- W3183321359 hasConceptScore W3183321359C185592680 @default.
- W3183321359 hasConceptScore W3183321359C186399102 @default.
- W3183321359 hasConceptScore W3183321359C2182769 @default.
- W3183321359 hasConceptScore W3183321359C2777961443 @default.
- W3183321359 hasConceptScore W3183321359C512968161 @default.
- W3183321359 hasConceptScore W3183321359C68801617 @default.
- W3183321359 hasLocation W31833213591 @default.
- W3183321359 hasOpenAccess W3183321359 @default.
- W3183321359 hasPrimaryLocation W31833213591 @default.
- W3183321359 hasRelatedWork W112116028 @default.
- W3183321359 hasRelatedWork W1795310729 @default.
- W3183321359 hasRelatedWork W1978845901 @default.
- W3183321359 hasRelatedWork W1996857751 @default.
- W3183321359 hasRelatedWork W2267276271 @default.
- W3183321359 hasRelatedWork W251753229 @default.
- W3183321359 hasRelatedWork W2560439796 @default.
- W3183321359 hasRelatedWork W2615039463 @default.
- W3183321359 hasRelatedWork W2766084293 @default.
- W3183321359 hasRelatedWork W2786316979 @default.
- W3183321359 hasRelatedWork W2786670551 @default.
- W3183321359 hasRelatedWork W2793898667 @default.
- W3183321359 hasRelatedWork W2799942397 @default.
- W3183321359 hasRelatedWork W2886588453 @default.
- W3183321359 hasRelatedWork W2903365935 @default.
- W3183321359 hasRelatedWork W2993811750 @default.
- W3183321359 hasRelatedWork W3091581557 @default.
- W3183321359 hasRelatedWork W3163448883 @default.
- W3183321359 hasRelatedWork W2110352183 @default.
- W3183321359 isParatext "false" @default.
- W3183321359 isRetracted "false" @default.
- W3183321359 magId "3183321359" @default.
- W3183321359 workType "article" @default.