Show/Hide Menu
Hide/Show Apps
anonymousUser
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Açık Bilim Politikası
Açık Bilim Politikası
Frequently Asked Questions
Frequently Asked Questions
Browse
Browse
By Issue Date
By Issue Date
Authors
Authors
Titles
Titles
Subjects
Subjects
Communities & Collections
Communities & Collections
Phase Separation Tendencies of Aluminum-Doped Transition-Metal Oxides (LiAl[sub 1−x]M[sub x]O[sub 2]) in the α-NaFeO[sub 2] Crystal Structure
Download
index.pdf
Date
1999
Author
Buta, S.
Metadata
Show full item record
Item Usage Stats
17
views
3
downloads
First-principles methods are used to calculate the miscibility of eight aluminum-doped transition-metal oxides in the layered alpha-NaFeO(2) structure. This study finds that for all Li(Al,M)O(2) compounds investigated(M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu) the enthalpy of mixing is positive. In addition, detailed analyses were performed on LiA(1-x)Co(x)O(2) and LiA(1-x)Cr(x)O(2) by calculating full temperature-composition phase diagrams. For the Li(Al,Co)O(2) system, we find regions of immiscibility below - 173 degrees C and above 600 degrees C. For both Li(Al,Co)O(2) and Li(A1,Cr)O(2) above 600 degrees C, Al-doping is limited by the formation of gamma-LiAlO(2).
Subject Keywords
Total-energy calculations
,
Wave basis-set
,
Solid-solutions
,
Cao-mgo
,
Batteries
,
Diagrams
,
Model
,
System
,
Disorder
,
Lixcoo2
URI
https://hdl.handle.net/11511/28373
Journal
Journal of The Electrochemical Society
DOI
https://doi.org/10.1149/1.1392639
Collections
Department of Metallurgical and Materials Engineering, Article