Theoretical investigations of the relaxation and reconstruction of the γ-AlO(OH) boehmite (101) surface and boehmite nanorods

Journal of Physical Chemistry C

Volumn 113, Issue 13, 2009, Pages 5228-5237

  Mercuri, Francesco ^a,b   Costa, Dominique ^a,b   Marcus, Philippe ^a,b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; CO-ORDINATION NUMBERS; IN VACUUMS; NANORODS GROWN; OXYHYDROXIDE; RECONSTRUCTED SURFACES; RELATIVE STABILITIES; STABLE STRUCTURES; STACKED STRUCTURES; SURFACE ENERGIES; SURFACE GEOMETRIES; THEORETICAL INVESTIGATIONS;

ALUMINA; ALUMINUM; ATOMS; DYNAMICS; INTERFACIAL ENERGY; MOLECULAR DYNAMICS; NANORODS; RESTORATION; SIMULATED ANNEALING; SURFACE CHEMISTRY; SURFACE TENSION;

SURFACE RELAXATION;

EID: 65249137640     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp810059w     Document Type: Article

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