2003
DOI: 10.1063/1.1594837
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Thermodynamic argument about SnO2 nanoribbon growth

Abstract: Calculations based on density functional theory at Becke’s three-parameter exchange functional combined with the Lee–Yang–Parr correlation functional (B3LYP) level and periodic slab models have been done to obtain: (i) the surface energy per unit area of different stoichiometric SnO2 surfaces, and (ii) by using a simple Wulff construction equation-type, the thermodynamic stability associated to the formation of nanoribbons from these surfaces has been obtained. In agreement with previous theoretical studies, t… Show more

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Cited by 119 publications
(94 citation statements)
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“…The main structures formed during these treatments are rods and tubes of different sizes, with rectangular cross section and well-defined lateral faces. Based on an analysis of the surface energy in several crystallographic orientations Beltran et al 13 obtained the stability …”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…The main structures formed during these treatments are rods and tubes of different sizes, with rectangular cross section and well-defined lateral faces. Based on an analysis of the surface energy in several crystallographic orientations Beltran et al 13 obtained the stability …”
Section: Resultsmentioning
confidence: 99%
“…Taking into account that our tubes show a rectangular cross section and according to the discussion of Ref. 13, the most probable growth direction seems to be the ͓101͔. The narrow and the wide lateral surfaces of the rectangular tube would be the ͑010͒ and ͑10-1͒ planes, respectively, as the ͑10-1͒ plane has a lower free formation energy and can be developed more readily.…”
Section: -2mentioning
confidence: 99%
“…Our group has developed a working methodology, which has been applied to the study of different morphologies in different metal oxides such as SnO 2 [55][56][57], PbMoO 4 [58], and CaWO 4 [59]. The relative growth rates of crystal faces, which depend on environmental conditions, cause transformations in crystal morphology because of the appearance and/or disappearance of faces.…”
Section: State-of-the-art Developmentsmentioning
confidence: 99%
“…Note that there are several experimental reports on the fabrication of nanostructured SnO 2 13-17 . Beltran et al 18 , have discussed the thermodynamic stability of nanostructured SnO 2 and have shown (both theoretically and experimentally) the possibility of nanosheets formation.First-principles calculations based on density functional theory within the local spin density approximation (LSDA) 19 and generalized gradient approximation (GGA) 20 were performed using the SIESTA code, …”
mentioning
confidence: 99%