Ionic Conductivity of the NASICON‐Related Thiophosphate Na1+xTi2−xGax(PS4)3

Schlem, Roman; Till, Paul; Weiß, Morten; Krauskopf, Thorben; Culver, Sean P.; Zeier, Wolfgang G.

doi:10.1002/chem.201805569

Cited by 17 publications

(47 citation statements)

References 57 publications

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“…Indeed, this rationale seems to be the reason why sulfide ionic conductors exhibit low activation barriers and higher ionic conductivity, [71,72] compared to the more ionic oxides. [73,74] A few examples in which changing the anion framework and strength of the local bonding interaction and its influence on the ionic conductivity are exemplarily shown for the classes of LISICONs Li 3.2 Ge 0.25 P 0.75 (O/S) 4 , [74] the NASICON (Li/Na) Ti 2 (PS 4 ) 3 [71,75] and argyrodites Li 6 P(O/S) 5 Cl, [68,76] Li 6 P(S/Se) 5 I, [69] the rare-earth halides Li 3 Er(Cl/I) 6 , [36,77] and sodium thiophosphates Na 3 P(S/Se) 4 [44] in Figure 1d. These fundamental considerations have led to recent work that has shown that lattice dynamics and softness/polarizability can affect the ionic transport.…”

Section: Ionic Conductivity In Crystalline Materials: the Static Viewmentioning

confidence: 99%

“…These fundamental considerations have led to recent work that has shown that lattice dynamics and softness/polarizability can affect the ionic transport. [ 13,43,44–80 ] In addition, a possible paddle‐wheel mechanism of rotating structural units that interact directly with the diffusing ion has been suggested [ 81 ] which, if an influence on the ionic transport can be confirmed, will be the most striking example of an additional direct influence of lattice dynamics on the mobile ions, all of which we will review in the next section.…”

Section: Ionic Conductivity In Crystalline Materials: the Static Viewmentioning

confidence: 99%

See 1 more Smart Citation

Phonon–Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Muy

Schlem

Shao‐Horn

et al. 2020

Advanced Energy Materials

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been found in numerous materials covering virtually all chemical compositions and crystal structures. [1][2][3] These materials are also critical in many applications, enabling a number of emerging technologies ranging from memristors to smart windows and fuel cells to name a few. [4][5][6][7][8] In particular, solid-state lithium (Li) electrolytes are believed to help with enabling lithium metal anodes, which will increase the energy density of a battery system and usher a new era of electromobility. [9][10][11] Research in solid-state electrolytes has been largely driven by the designs and discoveries of new materials with higher ionic conductivity. [10,12,13] The progress is particular evident in the research of Li-ion [14][15][16] and Na-ion conductors [17] where recent breakthroughs have led to marked increases in room-temperature ionic conductivity rivalling that of liquid electrolytes. [18] These advancements catalyzed research for new ion conductors that can be further record setting in ion conductivity, while also meeting other device-level requirements such as (electro)chemical stability and good mechanical properties, [19][20][21][22][23] both of which prevent contact loss or other morphological instabilities during cycling. [24][25][26][27][28][29][30][31] New descriptors have been proposed to accomplish rational design of new ion conductors and have been used in several high-throughput computational screenings, [13,[32][33][34] which has led to discovery of new promising Li-ion conductors [13] including those in the chloride family [13,[35][36][37] that display not only high ionic conductivity but also good electrochemical stability. [32,33,38,39] The design of new descriptors has also greatly benefited from the renewed interest in the fundamental of ionic conductivity in solids. [40] Here, concepts such as lattice dynamics or bond frustrations have been revisited in particular in light of new advances in computational capabilities to seek fundamental atomistic mechanisms that promote room-temperature superionic conductivity. [41][42][43][44][45] Clearly, in certain materials such as RbAg 4 I 5 , an impressive Ag + conductivity ≈0.25 S cm -1 can be reached, [46] and the questions is how to the reach the same level of ionic conductivity in other polycrystalline ionic conductors such as solid Li + and Na + electrolytes whose conductivity has so far plateaued at ≈24 mS cm -1 [10] and 41 mS cm -1 , [17] respectively.In this progress report, we will highlight one of the approaches to understand fundamental processes responsible for ion conductivity in solid ionic conductors namely the This review is focused on the influence of lattice dynamics on the ionic mobility in superionic conductors in particular solid-state Li-ion conductors. After a succinct review of the static view of ionic conduction, the role of polarizability as the underlying cause of lattice softness is discussed in connection with the anharmonicity and the roles of lattice dynamics on ionic conductivity as proposed in early theories in th...

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Section: Ionic Conductivity In Crystalline Materials: the Static Viewmentioning

confidence: 99%

Section: Ionic Conductivity In Crystalline Materials: the Static Viewmentioning

confidence: 99%

Phonon–Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Muy

Schlem

Shao‐Horn

et al. 2020

Advanced Energy Materials

Self Cite

View full text Add to dashboard Cite

show abstract

“…Zeier is interested in fundamental structure–property relationships in solids, with a focus on thermoelectrics and ionic conductors, and in solid–solid interfacial chemistry for the development of all‐solid‐state batteries. He was among the authors of a Review article in Angewandte Chemie on chemical intuition in thermoelectric materials research, and in a Full Paper in Chemistry—A European Journal his group studied Na 1+ x Ti 2− x Ga x (PS 4 ) 3 as a solid sodium‐ion conductor …”

Section: Awarded …mentioning

confidence: 99%

Heinz Maier‐Leibnitz Awards 2020

2020

Angew Chem Int Ed

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TheGerman Research Foundation (Deutsche Forschungsgemeinschaft, DFG) and the German Federal Ministry of Education and Research (Bundesminsterium fürB ildung und Forschung,B MBF) each year give their Heinz Maier-Leibnitz Awards to young researcher in diverse scientific disciplines. Among the ten laureates in 2020 are some who have already published in Angewandte Chemie and its sister journals. UlrikeI.Kramm (Technical University (TU) of Darmstadt, Germany) studied Physics at University of Applied Sciences Zwickau (WHZ) and received her doctorate at Te chnical University of Berlin in 2009 for work in the group of Sebastian Fiechter at Helmholtz-Zentrum Berlin. Between 2009 and 2012 she did postdoctoral research with Jean PolD odelet at INRS-EMT,V arennes (Canada), and from 2012 to 2015 she worked as a scientist at Brandenburg University of Te chnology Cottbus-Senftenberg in the group of Dieter Schmeißer. In 2015, she was appointed Junior Professor on Catalysts and Electrocatalysts at TU Darmstadt. Research in the Kramm group focuses on structure-activity correlations for non-preciousmetal (electro)catalysts.T his includes the development of new synthesis routes as well as spectroscopic characterization methods including in situ Mçssbauer spectroscopy.I naCommunication in Angewandte Chemie,Kramm and colleagues investigated an Fe-N-C catalyst by resonance techniques, [1a] and in aC ommunication in Chemistry-A European Journal they explored active sites in doped Co-based hydrogen evolution catalysts. [1b] Michael Saliba (Technical University of Darmstadt) received his Diploma in Physics from University of Stuttgart and the Max Planck Institute for Solid State Research, and he earned his DPhil (supervised by Henry Snaith) for work in the Photovoltaic and Optoelectronics group at University of Oxford in 2014. He then moved to the École Polytechnique FØdØrale de Lausanne (Switzerland) for postdoctoral research with Michael Grätzel. In 2018 he became aG roup Leader at the Adolphe Merkle Institute of University of Fribourg (Switzerland), and in 2019 he took up ad ual professorship at TU Darmstadt and Forschungszentrum Jülich. Salibasr esearch focuses on fundamental understanding and improvement of the optoelectronic properties of emerging photovoltaic materials for a sustainable energy future.H is work has led to the development of afamily of stable and reproducible multi-component perovskite materials which can also be used as scintillation detectors in medical applications such as positron emission tomography.

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“…Zeier interessiert sich für Struktur‐Eigenschafts‐Beziehungen in Festkörpern, insbesondere Thermoelektrika und Ionenleiter, sowie für Grenzflächen zwischen Festphasen und die Entwicklung von Festkörperbatterien. Er war unter den Autoren eines Angewandte‐Chemie ‐Aufsatzes über chemische Intuition bei der Erforschung thermoelektrischer Materialien, und seine Gruppe beschrieb in einem Full Paper in Chemistry—A European Journal Na 1+ x Ti 2− x Ga x (PS 4 ) 3 als festen Natriumionenleiter …”

Section: Ausgezeichnet …unclassified

Heinz‐Maier‐Leibnitz‐Preise 2020

2020

Angewandte Chemie

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Ionic Conductivity of the NASICON‐Related Thiophosphate Na_1+xTi_2−xGa_x(PS₄)₃

Cited by 17 publications

References 57 publications

Phonon–Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Phonon–Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Heinz Maier‐Leibnitz Awards 2020

Heinz‐Maier‐Leibnitz‐Preise 2020

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