guest ::
| Home > Publications database > Polyanionic Lattice Modifications Leading to High‐Entropy Sodium Ion Conductors: Mathematical Solution of Accessible Compositions > print |
| Home > Publications database > Polyanionic Lattice Modifications Leading to High‐Entropy Sodium Ion Conductors: Mathematical Solution of Accessible Compositions > print |
| 001 | 888400 | ||
| 005 | 20240712113121.0 | ||
| 024 | 7 | _ | |a 10.1002/cphc.202000566 |2 doi |
| 024 | 7 | _ | |a 1439-4235 |2 ISSN |
| 024 | 7 | _ | |a 1439-7641 |2 ISSN |
| 024 | 7 | _ | |a 2128/26362 |2 Handle |
| 024 | 7 | _ | |a altmetric:89344407 |2 altmetric |
| 024 | 7 | _ | |a 32705764 |2 pmid |
| 024 | 7 | _ | |a WOS:000563888700001 |2 WOS |
| 037 | _ | _ | |a FZJ-2020-04879 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Tietz, Frank |0 P:(DE-Juel1)129667 |b 0 |e Corresponding author |
| 245 | _ | _ | |a Polyanionic Lattice Modifications Leading to High‐Entropy Sodium Ion Conductors: Mathematical Solution of Accessible Compositions |
| 260 | _ | _ | |a Weinheim |c 2020 |b Wiley-VCH Verl. |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1607261612_14040 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a Sodium zirconium double phosphate NaZr2(PO4)3 can be used as a starting point for investigations of high‐entropy materials. Apart from the frequently used approach of partial substitution with four or more different transition metal cations, this class of materials also allows multiple substitutions of the phosphate groups. Herein modifications of the polyanionic lattice are considered and high‐entropy compositions are numerically determined with up to eight elements on the central tetrahedral lattice site of the so‐called NaSICON structure. For this study, the chemical formula was fixed as Na3Zr2(EO4)3 with E=B, Al, Si, P, As, Sb, S, Se and Te. The number of compositions increases exponentially with the increasing number of elements involved and with decreasing equal step size for each element. The maximum number of 237258 compositions is found for Na3Zr2([B,Al,Si,P,As,Sb,S,Se]O4)3 with a step size of 0.1 mol/formula unit. Of this compositional landscape, 143744 compositions fulfil the definitions of high‐entropy materials. The highest entropy factor of ΔSconfig/R=‐2.0405 is attributed to the compositions Na3Zr2(B0.5Al0.6Si0.4P0.3As0.3Sb0.3S0.3Se0.3)O12 and Na3Zr2(B0.6Al0.5Si0.4P0.3As0.3Sb0.3S0.3Se0.3)O12. |
| 536 | _ | _ | |a 131 - Electrochemical Storage (POF3-131) |0 G:(DE-HGF)POF3-131 |c POF3-131 |f POF III |x 0 |
| 588 | _ | _ | |a Dataset connected to CrossRef |
| 700 | 1 | _ | |a Fronia, Carsten |0 P:(DE-HGF)0 |b 1 |
| 773 | _ | _ | |a 10.1002/cphc.202000566 |g Vol. 21, no. 18, p. 2096 - 2103 |0 PERI:(DE-600)2025223-7 |n 18 |p 2096 - 2103 |t ChemPhysChem |v 21 |y 2020 |x 1439-7641 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/888400/files/HE-NASICON_2020.pdf |y OpenAccess |
| 909 | C | O | |o oai:juser.fz-juelich.de:888400 |p openaire |p open_access |p VDB |p driver |p dnbdelivery |
| 910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)129667 |
| 913 | 1 | _ | |a DE-HGF |l Speicher und vernetzte Infrastrukturen |1 G:(DE-HGF)POF3-130 |0 G:(DE-HGF)POF3-131 |2 G:(DE-HGF)POF3-100 |v Electrochemical Storage |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |b Energie |
| 914 | 1 | _ | |y 2020 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0200 |2 StatID |b SCOPUS |d 2020-09-15 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0300 |2 StatID |b Medline |d 2020-09-15 |
| 915 | _ | _ | |a Creative Commons Attribution CC BY 4.0 |0 LIC:(DE-HGF)CCBY4 |2 HGFVOC |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)1150 |2 StatID |b Current Contents - Physical, Chemical and Earth Sciences |d 2020-09-15 |
| 915 | _ | _ | |a DEAL Wiley |0 StatID:(DE-HGF)3001 |2 StatID |d 2020-09-15 |w ger |
| 915 | _ | _ | |a WoS |0 StatID:(DE-HGF)0113 |2 StatID |b Science Citation Index Expanded |d 2020-09-15 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0150 |2 StatID |b Web of Science Core Collection |d 2020-09-15 |
| 915 | _ | _ | |a IF < 5 |0 StatID:(DE-HGF)9900 |2 StatID |d 2020-09-15 |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 915 | _ | _ | |a JCR |0 StatID:(DE-HGF)0100 |2 StatID |b CHEMPHYSCHEM : 2018 |d 2020-09-15 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0160 |2 StatID |b Essential Science Indicators |d 2020-09-15 |
| 915 | _ | _ | |a DBCoverage |0 StatID:(DE-HGF)0199 |2 StatID |b Clarivate Analytics Master Journal List |d 2020-09-15 |
| 920 | _ | _ | |l yes |
| 920 | 1 | _ | |0 I:(DE-Juel1)IEK-1-20101013 |k IEK-1 |l Werkstoffsynthese und Herstellungsverfahren |x 0 |
| 920 | 1 | _ | |0 I:(DE-Juel1)IEK-12-20141217 |k IEK-12 |l Helmholtz-Institut Münster Ionenleiter für Energiespeicher |x 1 |
| 980 | 1 | _ | |a FullTexts |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a I:(DE-Juel1)IEK-1-20101013 |
| 980 | _ | _ | |a I:(DE-Juel1)IEK-12-20141217 |
| 981 | _ | _ | |a I:(DE-Juel1)IMD-4-20141217 |
| 981 | _ | _ | |a I:(DE-Juel1)IMD-2-20101013 |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|