Matches in SemOpenAlex for { <https://semopenalex.org/work/W4385855263> ?p ?o ?g. }
- W4385855263 endingPage "080525" @default.
- W4385855263 startingPage "080525" @default.
- W4385855263 abstract "Inspired by the high volumetric energy density and biocompatibility of Ag 2 O, the exploration of sodiation mechanism with one and two Na atom(s) per Ag 2 O unit cell has been carried out. Here, Na adsorbed at tetrahedral interstitial site (TIS) of Ag 2 O emerges to be the most stable with energy of –6.98 eV leading to the formation of Na–Ag 2 O compound. The advancement of Ag 2 O towards a metallic state is evidenced by the absence of a forbidden energy gap in the band structure plot with Na inclusion. Also, the formed compound is confirmed from PDOS plots and by analysing the charges transferred between Na, Ag and O atoms from CDDP. Further, when the concentration of Na is stepped up to two, the most stable TIS and Ag sub sites exhibits an energy of –5.79 eV Na −1 atom. In this case, the Bader charge analysis reveals that Na prefers to form strong contacts with Ag and weak interactions with O, thus demonstrating the feasibility of alloying rather than the conversion product. Subsequently, NEB studies show that the surface diffusion of Na from one TIS to the adjacent unit requires a minimal activation energy thereby suggesting the suitability of Ag 2 O as an alloying host." @default.
- W4385855263 created "2023-08-17" @default.
- W4385855263 creator A5001450389 @default.
- W4385855263 creator A5010010113 @default.
- W4385855263 creator A5058386681 @default.
- W4385855263 date "2023-08-01" @default.
- W4385855263 modified "2023-09-27" @default.
- W4385855263 title "A DFT Approach and Perspective of Sodiation in Ag<sub>2</sub>O Host: Exploration towards Sodium Batteries" @default.
- W4385855263 cites W1162277004 @default.
- W4385855263 cites W1981368803 @default.
- W4385855263 cites W1989236670 @default.
- W4385855263 cites W1989312552 @default.
- W4385855263 cites W2004529816 @default.
- W4385855263 cites W2005136695 @default.
- W4385855263 cites W2015511523 @default.
- W4385855263 cites W2021172010 @default.
- W4385855263 cites W2021981081 @default.
- W4385855263 cites W2030420751 @default.
- W4385855263 cites W2036113194 @default.
- W4385855263 cites W2038210983 @default.
- W4385855263 cites W2044591029 @default.
- W4385855263 cites W2058707337 @default.
- W4385855263 cites W2068843362 @default.
- W4385855263 cites W2069740276 @default.
- W4385855263 cites W2072792601 @default.
- W4385855263 cites W2078409719 @default.
- W4385855263 cites W2084245122 @default.
- W4385855263 cites W2084622149 @default.
- W4385855263 cites W2085093563 @default.
- W4385855263 cites W2087585288 @default.
- W4385855263 cites W2089705033 @default.
- W4385855263 cites W2092157292 @default.
- W4385855263 cites W2103111465 @default.
- W4385855263 cites W2119607070 @default.
- W4385855263 cites W2120145199 @default.
- W4385855263 cites W2126565451 @default.
- W4385855263 cites W2129412365 @default.
- W4385855263 cites W2140886907 @default.
- W4385855263 cites W2150687058 @default.
- W4385855263 cites W2281092351 @default.
- W4385855263 cites W2313728383 @default.
- W4385855263 cites W2323329373 @default.
- W4385855263 cites W2325112365 @default.
- W4385855263 cites W2344973166 @default.
- W4385855263 cites W2418878897 @default.
- W4385855263 cites W2551057468 @default.
- W4385855263 cites W2565783693 @default.
- W4385855263 cites W2796968200 @default.
- W4385855263 cites W2797609101 @default.
- W4385855263 cites W2874119892 @default.
- W4385855263 cites W2891711961 @default.
- W4385855263 cites W2909129015 @default.
- W4385855263 cites W2916608332 @default.
- W4385855263 cites W2949533116 @default.
- W4385855263 cites W2973953368 @default.
- W4385855263 cites W2977321094 @default.
- W4385855263 cites W3019452042 @default.
- W4385855263 cites W3084989709 @default.
- W4385855263 cites W3088868667 @default.
- W4385855263 cites W3093913102 @default.
- W4385855263 cites W3099188858 @default.
- W4385855263 cites W3111898286 @default.
- W4385855263 cites W3133587928 @default.
- W4385855263 cites W3136137670 @default.
- W4385855263 cites W3172862488 @default.
- W4385855263 cites W3211467807 @default.
- W4385855263 cites W3215461285 @default.
- W4385855263 cites W4229766111 @default.
- W4385855263 cites W4283449449 @default.
- W4385855263 cites W4287718603 @default.
- W4385855263 cites W4287722403 @default.
- W4385855263 cites W4292253927 @default.
- W4385855263 cites W4297242719 @default.
- W4385855263 cites W4312601618 @default.
- W4385855263 doi "https://doi.org/10.1149/1945-7111/acf0ec" @default.
- W4385855263 hasPublicationYear "2023" @default.
- W4385855263 type Work @default.
- W4385855263 citedByCount "0" @default.
- W4385855263 crossrefType "journal-article" @default.
- W4385855263 hasAuthorship W4385855263A5001450389 @default.
- W4385855263 hasAuthorship W4385855263A5010010113 @default.
- W4385855263 hasAuthorship W4385855263A5058386681 @default.
- W4385855263 hasBestOaLocation W43858552631 @default.
- W4385855263 hasConcept C121332964 @default.
- W4385855263 hasConcept C147597530 @default.
- W4385855263 hasConcept C149635348 @default.
- W4385855263 hasConcept C152365726 @default.
- W4385855263 hasConcept C171250308 @default.
- W4385855263 hasConcept C178790620 @default.
- W4385855263 hasConcept C181966813 @default.
- W4385855263 hasConcept C185592680 @default.
- W4385855263 hasConcept C192562407 @default.
- W4385855263 hasConcept C41008148 @default.
- W4385855263 hasConcept C49040817 @default.
- W4385855263 hasConcept C537181965 @default.
- W4385855263 hasConcept C544153396 @default.
- W4385855263 hasConcept C58312451 @default.
- W4385855263 hasConcept C69357855 @default.