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

Authors:
; ; ; ;
Publication Date:
OSTI Identifier:
1161929
DOE Contract Number:
SC0001086
Resource Type:
Journal Article
Resource Relation:
Journal Name: J. Chem. Phys.; Journal Volume: 140(8); Related Information: Emc2 partners with Cornell University (lead); Lawrence Berkeley National Laboratory
Research Org:
Energy Frontier Research Centers (EFRC); Energy Materials Center at Cornell (EMC2)
Sponsoring Org:
USDOE SC Office of Basic Energy Sciences (SC-22)
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, charge transport, membrane, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)