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A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity.


ABSTRACT: The chemical pressure approach offers a new paradigm for property control in functional materials. In this work, we disclose a correlation between the β → α pressure-induced phase transition in SnMoO4 and the substitution process of Mo6+ by W6+ in SnMo1-xWxO4 solid solutions (x = 0-1). Special attention is paid to discriminating the role of the lone pair Sn2+ cation from the structural distortive effect along the Mo/W substitution process, which is crucial to disentangle the driven force of the transition phase. Furthermore, the reverse α → β transition observed at high temperature in SnWO4 is rationalized on the same basis as a negative pressure effect associated with a decreasing of W6+ percentage in the solid solution. This work opens a versatile chemical approach in which the types of interactions along the formation of solid solutions are clearly differentiated and can also be used to tune their properties, providing opportunities for the development of new materials.

SUBMITTER: Gomes EO 

PROVIDER: S-EPMC9619963 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature

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A Chemical-Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity.

Gomes Eduardo O EO   Gouveia Amanda F AF   Gracia Lourdes L   Lobato Álvaro Á   Recio J Manuel JM   Andrés Juan J  

The journal of physical chemistry letters 20221017 42


The chemical pressure approach offers a new paradigm for property control in functional materials. In this work, we disclose a correlation between the β → α pressure-induced phase transition in SnMoO<sub>4</sub> and the substitution process of Mo<sup>6+</sup> by W<sup>6+</sup> in SnMo<sub>1-<i>x</i></sub>W<sub><i>x</i></sub>O<sub>4</sub> solid solutions (<i>x</i> = 0-1). Special attention is paid to discriminating the role of the lone pair Sn<sup>2+</sup> cation from the structural distortive ef  ...[more]

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