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



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O. Gomes, Eduardo and F. Gouveia, Amanda and Gracia, Lourdes and Lobato Fernández, Álvaro and Recio, J. Manuel and Andrés, Juan (2022) A Chemical Pressure-Induced Phase Transition Controlled by Lone Electron Pair Activity. Journal of Physical Chemistry Letters, 13 (42). pp. 9883-9888. ISSN 1948-7185

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Official URL: https://doi.org/10.1021/acs.jpclett.2c02582


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 pressureinduced 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.

Item Type:Article
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CRUE-CSIC (Acuerdos Transformativos 2022)

Uncontrolled Keywords:Cations, Doping, Materials, Phase transitions, Solutions
Subjects:Sciences > Chemistry > Materials
Sciences > Chemistry > Chemistry, Physical and theoretical
Sciences > Chemistry > Chemistry, Inorganic
ID Code:75257
Deposited On:03 Nov 2022 13:14
Last Modified:16 Nov 2022 09:19

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