Understanding and Tuning the Intrinsic Hydrophobicity of Rare-Earth Oxides: A DFT+U Study

ACS Applied Materials and Interfaces

Volumn 8, Issue 1, 2016, Pages 152-160

  Carchini, Giuliano ^a   García Melchor, Max ^b   Łodziana, Zbigniew ^c   López, Núria ^d  

^a BARCELONA INSTITUTE OF SCIENCE AND TECHNOLOGY   (Spain)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^c INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^d INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

defects; density functional theory; oxide; water interface; wetting

Indexed keywords

ALUMINUM; DEFECTS; DENSITY FUNCTIONAL THEORY; HYDROPHOBICITY; METALS; OXIDES; OXYGEN VACANCIES; RARE EARTHS;

ACID BASE CHARACTERS; CATION SUBSTITUTIONS; DENSITY FUNCTIONAL THEORY STUDIES; HYDROXYL-TERMINATED; METAL OXIDE SURFACES; NON-WETTING PROPERTIES; OXIDE-WATER INTERFACE; WATER INTERFACE;

WETTING;

EID: 84954436402     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b07905     Document Type: Article

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