A 3D platform for the morphology modulation of materials: First principles calculations on the thermodynamic stability and surface structure of metal oxides: Co3O4, α-Fe2O3, and In2O3

Modelling and Simulation in Materials Science and Engineering

Volumn 24, Issue 2, 2016, Pages

  Ferrer, M M ^a   Gouveia, A F ^a   Gracia, L ^b   Longo, E ^c   Andres J ^b  

^a FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^b UNIVERSITAT JAUME I   (Spain)

^c SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

Co3O4; In2O3; morphology; surface energy; Wulff construction; Fe2O3

Indexed keywords

CALCULATIONS; CHEMICAL ANALYSIS; CHEMICAL BONDS; INTERFACIAL ENERGY; SURFACE CHEMISTRY; THERMODYNAMICS;

BONDING DENSITY; CRYSTAL PLANES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; MORPHOLOGY TRANSFORMATIONS; RELATIVE VALUE; SURFACE THERMODYNAMICS; WULFF CONSTRUCTION;

MORPHOLOGY;

EID: 84955490829     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/24/2/025007     Document Type: Article

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