FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3184601844> ?p ?o ?g. }

• W3184601844 endingPage "1953" @default.
• W3184601844 startingPage "1953" @default.
• W3184601844 abstract "Perovskite materials are considered to be promising electrolyte membrane candidates for electrochemical applications owing to their excellent proton- or oxide-ion-conducting properties. RbBiNb2O7 is a double-layered Dion–Jacobson perovskite oxide, with Pmc21 symmetry. In this study, the electronic structure and proton-diffusion properties of bulk RbBiNb2O7 were systematically investigated using first-principles calculations. The unique layered crystal structure of RbBiNb2O7 plays a crucial role in proton storage and proton conductivity. Different proton-diffusion steps in RbBiNb2O7 were considered, and the activation energies of the relevant diffusion steps were evaluated using the climbing image-nudged elastic band (CI-NEB) technique. The proton diffusion in RbBiNb2O7 presents a two-dimensional layered characteristic in the a-b plane, owing to its layered crystalline nature. According to the transition state calculations, our results show that the bulk RbBiNb2O7 exhibits good proton-transport behavior in the a-b plane, which is better than many perovskite oxides, such as CaTiO3, CaZrO3, and SrZrO3. The proton diffusion in the Rb–O and Nb–O layers is isolated by a higher energy barrier of 0.86 eV. The strong octahedral tilting in RbBiNb2O7 would promote proton transport. Our study reveals the microscopic mechanisms of proton conductivity in Dion–Jacobson structured RbBiNb2O7, and provides theoretical evidence for its potential application as an electrolyte in solid oxide fuel cells (SOFCs)." @default.
• W3184601844 created "2021-08-02" @default.
• W3184601844 creator A5027913321 @default.
• W3184601844 creator A5029219379 @default.
• W3184601844 creator A5047248218 @default.
• W3184601844 creator A5055426495 @default.
• W3184601844 creator A5055563614 @default.
• W3184601844 date "2021-07-29" @default.
• W3184601844 modified "2023-10-18" @default.
• W3184601844 title "Theoretical Investigation of Proton Diffusion in Dion–Jacobson Layered Perovskite RbBiNb2O7" @default.
• W3184601844 cites W1853558547 @default.
• W3184601844 cites W1974930519 @default.
• W3184601844 cites W1979928564 @default.
• W3184601844 cites W1980258582 @default.
• W3184601844 cites W1981368803 @default.
• W3184601844 cites W1996550813 @default.
• W3184601844 cites W2003257689 @default.
• W3184601844 cites W2006964530 @default.
• W3184601844 cites W2007378660 @default.
• W3184601844 cites W2007395042 @default.
• W3184601844 cites W2007742307 @default.
• W3184601844 cites W2017079633 @default.
• W3184601844 cites W2022085321 @default.
• W3184601844 cites W2028056984 @default.
• W3184601844 cites W2028115725 @default.
• W3184601844 cites W2040322623 @default.
• W3184601844 cites W2067158230 @default.
• W3184601844 cites W2074126383 @default.
• W3184601844 cites W2083222334 @default.
• W3184601844 cites W2097934750 @default.
• W3184601844 cites W2105833891 @default.
• W3184601844 cites W2122427541 @default.
• W3184601844 cites W2151306319 @default.
• W3184601844 cites W2157190308 @default.
• W3184601844 cites W2162682097 @default.
• W3184601844 cites W2167590372 @default.
• W3184601844 cites W2228104897 @default.
• W3184601844 cites W2312932364 @default.
• W3184601844 cites W2314260079 @default.
• W3184601844 cites W2353942640 @default.
• W3184601844 cites W2403742978 @default.
• W3184601844 cites W2415617092 @default.
• W3184601844 cites W2436583914 @default.
• W3184601844 cites W2625648512 @default.
• W3184601844 cites W2735811683 @default.
• W3184601844 cites W2763150284 @default.
• W3184601844 cites W2767331214 @default.
• W3184601844 cites W2767933185 @default.
• W3184601844 cites W2805300386 @default.
• W3184601844 cites W2810690582 @default.
• W3184601844 cites W2913703294 @default.
• W3184601844 cites W2921482681 @default.
• W3184601844 cites W2949081636 @default.
• W3184601844 cites W2952170246 @default.
• W3184601844 cites W2955883988 @default.
• W3184601844 cites W3005646287 @default.
• W3184601844 cites W3009096680 @default.
• W3184601844 cites W3013283123 @default.
• W3184601844 cites W3038025793 @default.
• W3184601844 cites W3098844039 @default.
• W3184601844 cites W3127826207 @default.
• W3184601844 doi "https://doi.org/10.3390/nano11081953" @default.
• W3184601844 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8398531" @default.
• W3184601844 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34443784" @default.
• W3184601844 hasPublicationYear "2021" @default.
• W3184601844 type Work @default.
• W3184601844 sameAs 3184601844 @default.
• W3184601844 citedByCount "4" @default.
• W3184601844 countsByYear W31846018442022 @default.
• W3184601844 countsByYear W31846018442023 @default.
• W3184601844 crossrefType "journal-article" @default.
• W3184601844 hasAuthorship W3184601844A5027913321 @default.
• W3184601844 hasAuthorship W3184601844A5029219379 @default.
• W3184601844 hasAuthorship W3184601844A5047248218 @default.
• W3184601844 hasAuthorship W3184601844A5055426495 @default.
• W3184601844 hasAuthorship W3184601844A5055563614 @default.
• W3184601844 hasBestOaLocation W31846018441 @default.
• W3184601844 hasConcept C115624301 @default.
• W3184601844 hasConcept C115645028 @default.
• W3184601844 hasConcept C121332964 @default.
• W3184601844 hasConcept C131540310 @default.
• W3184601844 hasConcept C147789679 @default.
• W3184601844 hasConcept C155011858 @default.
• W3184601844 hasConcept C159467904 @default.
• W3184601844 hasConcept C17525397 @default.
• W3184601844 hasConcept C185592680 @default.
• W3184601844 hasConcept C191897082 @default.
• W3184601844 hasConcept C192562407 @default.
• W3184601844 hasConcept C198819137 @default.
• W3184601844 hasConcept C2779851234 @default.
• W3184601844 hasConcept C2992012372 @default.
• W3184601844 hasConcept C54516573 @default.
• W3184601844 hasConcept C62520636 @default.
• W3184601844 hasConcept C68801617 @default.
• W3184601844 hasConcept C69357855 @default.
• W3184601844 hasConcept C8010536 @default.
• W3184601844 hasConcept C97355855 @default.
• W3184601844 hasConceptScore W3184601844C115624301 @default.

• next