Estudio estructural del MoO3 y sus planos cristalinos

Química Nova

Susana Gesari¹  Beatriz Irigoyen¹  Alfredo Juan¹ 

[1] ,Universidad Nacional del Sur Departamento de Física Bahí a Blanca,Argentina

关键词: molybdenum oxide;    crystal structures;    molecular modeling;   

DOI  :  10.1590/S0100-40421997000100013

来源: SciELO

【 摘 要 】

In the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.

【 授权许可】

CC BY-NC   
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