Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Journal of Chemical Physics

Volumn 140, Issue 8, 2014, Pages

  Mathew, Kiran ^a   Sundararaman, Ravishankar ^a   Letchworth Weaver, Kendra ^a   Arias, T A ^a   Hennig, Richard G ^a  

^a Cornell University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; INTERFACIAL ENERGY; NANOCRYSTALS; PHASE INTERFACES; SOLVATION; SOLVENTS; SURFACE REACTIONS;

ALGORITHM AND IMPLEMENTATION; COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL STUDY; IMPLICIT SOLVATION MODELS; METALLIC NANOCRYSTALS; NANOCRYSTAL SURFACE; SOLID-LIQUID INTERFACES; THEORETICAL FOUNDATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84896795660     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4865107     Document Type: Article

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