Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Exploring the Synthesis of Alkali Metal Anti-perovskites

Journal Article · · Chemistry of Materials

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
Joint Center for Energy Storage Research (JCESR) - U.S. Department of Energy, Office of Science, Basic Energy Sciences(United States Department of Energy (DOE))
OSTI ID:
1988864
Journal Information:
Chemistry of Materials, Vol. 34, Issue 3
Country of Publication:
United States
Language:
English

References (75)

Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries journal May 2012
Potassium Secondary Batteries journal October 2016
Recent Progress and Perspective in Electrode Materials for K-Ion Batteries journal December 2017
How Electrolytes Influence Battery Safety journal January 2012
The Impact of Elastic Deformation on Deposition Kinetics at Lithium/Polymer Interfaces journal January 2005
Batteries: Getting solid journal April 2016
Status and challenges in enabling the lithium metal electrode for high-energy and low-cost rechargeable batteries journal December 2017
Fast Lithium Ion Conduction in Garnet-Type Li7La3Zr2O12 journal October 2007
Li6PS5X: A Class of Crystalline Li-Rich Solids With an Unusually High Li+ Mobility journal January 2008
A lithium superionic conductor journal July 2011
Superionic Conductivity in Lithium-Rich Anti-Perovskites journal August 2012
Design and synthesis of the superionic conductor Na10SnP2S12 journal March 2016
High-power all-solid-state batteries using sulfide superionic conductors journal March 2016
Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations journal October 2015
Interface Stability in Solid-State Batteries journal December 2015
Direct Observation of the Interfacial Instability of the Fast Ionic Conductor Li 10 GeP 2 S 12 at the Lithium Metal Anode journal March 2016
Intergranular Li metal propagation through polycrystalline Li6.25Al0.25La3Zr2O12 ceramic electrolyte journal January 2017
Mechanism of Lithium Metal Penetration through Inorganic Solid Electrolytes journal July 2017
Effect of Pore Connectivity on Li Dendrite Propagation within LLZO Electrolytes Observed with Synchrotron X-ray Tomography journal March 2018
Design principles for solid-state lithium superionic conductors journal August 2015
Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures journal August 2015
High magnesium mobility in ternary spinel chalcogenides journal November 2017
Influence of Lattice Polarizability on the Ionic Conductivity in the Lithium Superionic Argyrodites Li 6 PS 5 X (X = Cl, Br, I) journal July 2017
Tuning mobility and stability of lithium ion conductors based on lattice dynamics journal January 2018
Correlating lattice distortions, ion migration barriers, and stability in solid electrolytes journal January 2019
Die Gesetze der Krystallochemie journal May 1926
Anti-perovskites for solid-state batteries: recent developments, current challenges and future prospects journal January 2021
Phase Stability and Transport Mechanisms in Antiperovskite Li 3 OCl and Li 3 OBr Superionic Conductors journal November 2013
Ab initio study of the stabilities of and mechanism of superionic transport in lithium-rich antiperovskites journal April 2013
Anharmonicity and phase stability of antiperovskite Li 3 OCl journal June 2015
Fluorine-Doped Antiperovskite Electrolyte for All-Solid-State Lithium-Ion Batteries journal June 2016
Untangling the Structure and Dynamics of Lithium-Rich Anti-Perovskites Envisaged as Solid Electrolytes for Batteries journal October 2018
The thermodynamic scale of inorganic crystalline metastability journal November 2016
Synthesis of Antiperovskite Solid Electrolytes: Comparing Li 3 SI, Na 3 SI, and Ag 3 SI journal July 2020
The crystal structures of superionic Ag 3 SI journal February 2001
Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning journal May 2017
High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites journal October 2017
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Generalized Gradient Approximation Made Simple journal October 1996
Projector augmented-wave method journal December 1994
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors journal August 2015
Li−Fe−P−O 2 Phase Diagram from First Principles Calculations journal February 2008
The Compressibility of Media under Extreme Pressures journal September 1944
First-Principles Determination of the Soft Mode in Cubic ZrO 2 journal May 1997
Microscopic Theory of Force Constants in the Adiabatic Approximation journal January 1970
Lattice dynamics of antiperovskite structure compounds a 3 ox (a=na, k; x=ci, br) journal January 2002
A simplified method for calculating the debye temperature from elastic constants journal July 1963
Berechnung der Fließgrenze von Mischkristallen auf Grund der Plastizitätsbedingung für Einkristalle . journal January 1929
Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2 journal November 1998
Quenching of Charge and Spin Degrees of Freedom in Condensed Matter journal June 2016
Volume Effect or Paddle-Wheel Mechanism—Fast Alkali-Metal Ionic Conduction in Solids with Rotationally Disordered Complex Anions journal December 1991
Elucidating lithium-ion and proton dynamics in anti-perovskite solid electrolytes journal January 2018
Antiperovskite Li 3 OCl Superionic Conductor Films for Solid-State Li-Ion Batteries journal February 2016
Enhanced ionic conductivity with Li 7 O 2 Br 3 phase in Li 3 OBr anti-perovskite solid electrolyte journal September 2016
Fundamental aspects of the structural and electrolyte properties of Li 2 OHCl from simulations and experiment journal December 2017
Understanding Li‐Ion Dynamics in Lithium Hydroxychloride (Li 2 OHCl) Solid State Electrolyte via Addressing the Role of Protons journal January 2020
Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Antiperovskite Li 2 OHCl journal September 2020
Ungew�hnliche Koordinationspolyeder um Sauerstoff in Li4Cl(OH)3 journal March 1994
Crystal structure determination of systematically intergrown compounds: Li 5 (OH) 2 Br 3 and Li 2 (OH)Br journal August 2003
High Lithium Ionic Conductivity in the Lithium Halide Hydrates Li3-n(OHn)Cl (0.83≤n≤2) and Li3-n(OHn)Br (1≤n≤2) at Ambient Temperatures journal April 2003
High pressure-high temperature synthesis of lithium-rich Li3O(Cl, Br) and Li3−xCax/2OCl anti-perovskite halides journal October 2014
Li 2 OHCl Crystalline Electrolyte for Stable Metallic Lithium Anodes journal January 2016
Reaction mechanism studies towards effective fabrication of lithium-rich anti-perovskites Li3OX (X= Cl, Br) journal January 2016
Glass-amorphous alkali-ion solid electrolytes and their performance in symmetrical cells journal January 2016
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation journal July 2013
Electrochemical performance of the mixed solid electrolyte (100-x)Li3SI-xLi6PS5Cl (x = 0, 10, 20, and 30) for all-solid-state lithium batteries journal July 2021
Crystal structure of K 3 OI journal January 1991
Structural manipulation approaches towards enhanced sodium ionic conductivity in Na-rich antiperovskites journal October 2015
Structure of Na3OCl journal May 1990
Experimental and Computational Evaluation of a Sodium-Rich Anti-Perovskite for Solid State Electrolytes journal January 2016
Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na 3 OBr and Na 4 OI 2 : An in Situ Neutron Diffraction Study journal June 2016
Rotational Cluster Anion Enabling Superionic Conductivity in Sodium-Rich Antiperovskite Na 3 OBH 4 journal March 2019
Mechanochemical synthesis and ion transport properties of Na3OX (X = Cl, Br, I and BH4) antiperovskite solid electrolytes journal September 2020
Alkali-Rich Antiperovskite M 3 FCh (M = Li, Na; Ch = S, Se, Te): The Role of Anions in Phase Stability and Ionic Transport journal July 2021
Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors journal January 2021