Your browser doesn't support javascript.
loading
Novel Solid-State Electrolyte Na3La5Cl18 with High Stability and Fast Ionic Conduction.
Hussain, Syed Jawad; Liu, Jiahui; Du, Peng-Hu; Nazir, Muhammad Azhar; Sun, Qiang; Jena, Puru.
Afiliación
  • Hussain SJ; School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.
  • Liu J; School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.
  • Du PH; School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.
  • Nazir MA; School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.
  • Sun Q; School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.
  • Jena P; Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000, United States.
ACS Appl Mater Interfaces ; 16(11): 14364-14370, 2024 Mar 20.
Article en En | MEDLINE | ID: mdl-38441873
ABSTRACT
Motivated by the recent experimental synthesis of a LaCl3-based lithium superionic conductor [Yin, Y.-C. Nature 2023, 616, 77-83], we explore the potential of a LaCl3-based system for a sodium superionic conductor in this work. Using density functional theory combined with molecular dynamics simulation and a grand potential phase diagram analysis, we find that the resulting Na3La5Cl18 exhibits high energetic stability with a small energy-above-hull of 18 meV per atom, a large band gap of 5.58 eV, a wide electrochemical window of 0.41-3.76 V from the cathodic to the anodic limit, and a high Na+ conductivity of 1.3 mS/cm at 300 K. Furthermore, Na3La5Cl18 shows high chemical interface stability with the reported high-potential cathode materials such as NaCoO2, NaCrO2, Na2FePO4F, Na3V2(PO4)3, and Na3V2(PO4)2F3. These findings clearly suggest that the LaCl3-based framework can be used as a building block not only for Li-ion but also for Na-ion batteries.
Palabras clave
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Appl Mater Interfaces Asunto de la revista: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Appl Mater Interfaces Asunto de la revista: BIOTECNOLOGIA / ENGENHARIA BIOMEDICA Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos