First-principles characterization of potassium intercalation in hexagonal 2H-MoS 2

Journal of Physical Chemistry C

Volumn 116, Issue 2, 2012, Pages 1826-1832

  Andersen, Amity ^a   Kathmann, Shawn M ^b   Lilga, Michael A ^b   Albrecht, Karl O ^b   Hallen, Richard T ^b   Mei, Donghai ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK STRUCTURE; C PARAMETER; CATALYTIC CONDITIONS; ELECTRON DONATION; FIRST-PRINCIPLES; HEXAGONAL SITES; IN-PLANE EXPANSION; INTERSTITIAL SPACE; METALLIC SYSTEMS; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; POTASSIUM ATOMS; POTASSIUM LOADING; SYSTEM CHANGE; XRD MEASUREMENTS;

ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; LOADING; X RAY DIFFRACTION;

MOLYBDENUM COMPOUNDS;

EID: 84856013962     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp206555b     Document Type: Article

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