Theoretical Insights into Na5M(PO4)2F2 (M = Cr, V): A Fluorophosphate-Based High-Performance Cathode System for Sodium-Ion Batteries
- 8 September 2021
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 125 (36), 19593-19599
- https://doi.org/10.1021/acs.jpcc.1c04411
Abstract
No abstract availableFunding Information
- Science and Engineering Research Board
- Department of Science and Technology, Ministry of Science and Technology
- Jawaharlal Nehru Centre for Advanced Scientific Research
This publication has 37 references indexed in Scilit:
- A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteriesNature Communications, 2013
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U studyPhysical Review B, 1998
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Projector augmented-wave methodPhysical Review B, 1994
- Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germaniumPhysical Review B, 1994
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993
- Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlationPhysical Review B, 1992
- The Nose–Hoover thermostatThe Journal of Chemical Physics, 1985