Density functional theory study of Li, Na, and Mg intercalation and diffusion in MoS2 with controlled interlayer spacing

Materials Research Express

Volumn 3, Issue 6, 2016, Pages

  Shuai, Jing ^a   Yoo, Hyun Deog ^b   Liang, Yanliang ^b   Li, Yifei ^b   Yao, Yan ^b   Grabow, Lars C ^b  

^a University of Houston   (United States)

^b UNIVERSITY OF HOUSTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DIFFUSION BARRIERS; ELECTRODES; EXPANSION; IONS; LAYERED SEMICONDUCTORS; LITHIUM; LITHIUM-ION BATTERIES; MAGNESIUM; MOLYBDENUM COMPOUNDS; SODIUM; SODIUM COMPOUNDS; TRANSITION METALS; VAN DER WAALS FORCES;

BATTERY PERFORMANCE; DENSITY FUNCTIONAL THEORY SIMULATIONS; DENSITY FUNCTIONAL THEORY STUDIES; INTERCALATION ENERGY; INTERCALATION KINETICS; INTERLAYER EXPANSION; MOLYBDENUM DISULFIDE; TRANSITION METAL DICHALCOGENIDES;

SULFUR COMPOUNDS;

EID: 84978402492     PISSN: None     EISSN: 20531591     Source Type: Journal    
DOI: 10.1088/2053-1591/3/6/064001     Document Type: Article

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