Matches in SemOpenAlex for { <https://semopenalex.org/work/W4225158191> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W4225158191 endingPage "15692" @default.
- W4225158191 startingPage "15681" @default.
- W4225158191 abstract "Sodium containing vanadium-based halophosphates {Na 3 V 2 (PO 4 ) 2 X 3 , where X= F, Cl, Br, and I were chosen to use as cathode materials with a purpose to construct the high-performance Na-ion battery. Initially, cathode materials, Na 3 V 2 (PO 2 ) 4 F 3 , Na 3 V 2 (PO 2 ) 4 Cl 3 , Na 3 V 2 (PO 2 ) 4 Br 3 , and Na 3 V 2 (PO 2 ) 4 I 3 were analyzed for the primary screening of electronic band structure and structural geometry through the first principle method GGA with PBE functional and bandgap of 0.00 eV was obtained for all cathode materials. Again, the DOS and PDOS were assessed to show how all atoms contribute to the conduction band (CB) and the valance band (VB), which disclosed that the major contribution comes from p orbital for VB whereas both p and d orbitals highly contribute to the CB. Investigation on their optical properties, such as optical reflectivity, optical absorption, refractive index, dielectric function, conductivity, and loss function, resulted in similar nature for all the materials. Finally, the reactivity descriptors viz. ionization potential (IP), electron affinity (EA), chemical potential (μ), hardness (ȵ), softness (S), electrophilicity, and electronegativity (χ) have been calculated from the energies of frontier molecular orbital’s (HOMO-LUMO energy values)." @default.
- W4225158191 created "2022-05-01" @default.
- W4225158191 creator A5025742538 @default.
- W4225158191 creator A5054246054 @default.
- W4225158191 creator A5065860568 @default.
- W4225158191 creator A5073836368 @default.
- W4225158191 creator A5076069633 @default.
- W4225158191 creator A5090785362 @default.
- W4225158191 date "2022-04-24" @default.
- W4225158191 modified "2023-10-18" @default.
- W4225158191 title "Fabrication of Computationally Designed Cathode Material for a High-Performance Na-Ion Battery" @default.
- W4225158191 doi "https://doi.org/10.1149/10701.15681ecst" @default.
- W4225158191 hasPublicationYear "2022" @default.
- W4225158191 type Work @default.
- W4225158191 citedByCount "2" @default.
- W4225158191 countsByYear W42251581912023 @default.
- W4225158191 crossrefType "journal-article" @default.
- W4225158191 hasAuthorship W4225158191A5025742538 @default.
- W4225158191 hasAuthorship W4225158191A5054246054 @default.
- W4225158191 hasAuthorship W4225158191A5065860568 @default.
- W4225158191 hasAuthorship W4225158191A5073836368 @default.
- W4225158191 hasAuthorship W4225158191A5076069633 @default.
- W4225158191 hasAuthorship W4225158191A5090785362 @default.
- W4225158191 hasConcept C113196181 @default.
- W4225158191 hasConcept C139358910 @default.
- W4225158191 hasConcept C14158195 @default.
- W4225158191 hasConcept C145148216 @default.
- W4225158191 hasConcept C147192597 @default.
- W4225158191 hasConcept C147789679 @default.
- W4225158191 hasConcept C177293861 @default.
- W4225158191 hasConcept C178790620 @default.
- W4225158191 hasConcept C179104552 @default.
- W4225158191 hasConcept C181966813 @default.
- W4225158191 hasConcept C185592680 @default.
- W4225158191 hasConcept C192562407 @default.
- W4225158191 hasConcept C198291218 @default.
- W4225158191 hasConcept C2776820632 @default.
- W4225158191 hasConcept C2781238429 @default.
- W4225158191 hasConcept C32909587 @default.
- W4225158191 hasConcept C49040817 @default.
- W4225158191 hasConcept C49110097 @default.
- W4225158191 hasConcept C504678139 @default.
- W4225158191 hasConceptScore W4225158191C113196181 @default.
- W4225158191 hasConceptScore W4225158191C139358910 @default.
- W4225158191 hasConceptScore W4225158191C14158195 @default.
- W4225158191 hasConceptScore W4225158191C145148216 @default.
- W4225158191 hasConceptScore W4225158191C147192597 @default.
- W4225158191 hasConceptScore W4225158191C147789679 @default.
- W4225158191 hasConceptScore W4225158191C177293861 @default.
- W4225158191 hasConceptScore W4225158191C178790620 @default.
- W4225158191 hasConceptScore W4225158191C179104552 @default.
- W4225158191 hasConceptScore W4225158191C181966813 @default.
- W4225158191 hasConceptScore W4225158191C185592680 @default.
- W4225158191 hasConceptScore W4225158191C192562407 @default.
- W4225158191 hasConceptScore W4225158191C198291218 @default.
- W4225158191 hasConceptScore W4225158191C2776820632 @default.
- W4225158191 hasConceptScore W4225158191C2781238429 @default.
- W4225158191 hasConceptScore W4225158191C32909587 @default.
- W4225158191 hasConceptScore W4225158191C49040817 @default.
- W4225158191 hasConceptScore W4225158191C49110097 @default.
- W4225158191 hasConceptScore W4225158191C504678139 @default.
- W4225158191 hasIssue "1" @default.
- W4225158191 hasLocation W42251581911 @default.
- W4225158191 hasOpenAccess W4225158191 @default.
- W4225158191 hasPrimaryLocation W42251581911 @default.
- W4225158191 hasRelatedWork W1995404829 @default.
- W4225158191 hasRelatedWork W2763677313 @default.
- W4225158191 hasRelatedWork W2943928627 @default.
- W4225158191 hasRelatedWork W4281729706 @default.
- W4225158191 hasRelatedWork W4293097528 @default.
- W4225158191 hasRelatedWork W4308201781 @default.
- W4225158191 hasRelatedWork W4308726299 @default.
- W4225158191 hasRelatedWork W4382134700 @default.
- W4225158191 hasRelatedWork W4382135110 @default.
- W4225158191 hasRelatedWork W2618403749 @default.
- W4225158191 hasVolume "107" @default.
- W4225158191 isParatext "false" @default.
- W4225158191 isRetracted "false" @default.
- W4225158191 workType "article" @default.