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Voltage profile, structural prediction, and electronic calculations for MgxMo6S8
Kganyago, KR
;
Ngoepe, PE
;
Catlow, CRA
(
American Physical Society
,
2003-03-01
)
Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure
Sithole, Happy M
;
Ngoepe, PE
;
Wright, K
(
Springer-Verlag
,
2003-10
)
Ab initio calculation of the voltage profile for LiC6
Kganyago, KR
;
Ngoepe, PE
;
Catlow, CRA
(
Elsevier Science BV
,
2003-03
)
Structural and electronic properties of lithium intercalated graphite LiC6
Kganyago, KR
;
Ngoepe, PE
(
American Physical Society
,
2003-11
)
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Author
Ngoepe, PE (4)
Kganyago, KR (3)
Catlow, CRA (2)
Sithole, Happy M (1)
Wright, K (1)
Subject
LiC6 (2)
Ab initio calculations (1)
Anode intercalations (1)
Cathode materials (1)
Chemistry (1)
Chevrel phase structures (1)
Computer simulations (1)
Density functional theory (1)
Generalised gradient approximation (1)
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Date Issued
2003 (4)
Publication Type
Article (4)
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