Periodic hartree-fock study of LixTiS2, 0 ≤ x ≤ 1: The structural, elastic, and electronic effects of lithium intercalation in TiS2

Journal of Physical Chemistry A

Volumn 101, Issue 47, 1997, Pages 8926-8931

  Clerc, D G ^a   Poshusta, R D ^a   Hess, A C ^b  

^a Washington State University   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CHARGE TRANSFER; ELASTICITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; LATTICE CONSTANTS; LITHIUM COMPOUNDS; TITANIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY; HARTREE FOCK THEORY;

INTERCALATION COMPOUNDS;

EID: 0031270571     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9618789     Document Type: Article

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