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Exploring Layered Ruddlesden-Popper Structures for High-Performance Energy Devices

This study presents comprehensive DFT calculations to determine the structural, electronic, mechanical, and optical properties of the Ruddlesden–Popper Phase family member, La<sub>2</sub>XO<sub>4</sub>, which has an orthorhombic crystal structure with a Cmce space group. Ultrasoft pseudopotential pl...

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Principais autores: Ahmad Hussain, Sumaira Zafar, Nawishta Jabeen, Muhammad Usman Khan, Imtiaz Ahmad Khan, Mahmoud M. Hessien
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2025-06-01
Serier:Inorganics
Fag:
Ruddlesden–Popper phase
DFT
CASTEP
La<sub>2</sub>XO<sub>4</sub>
supercapacitor
Online adgang:https://www.mdpi.com/2304-6740/13/6/203
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