Identifying and controlling the order parameter for ultrafast photoinduced phase transitions in thermosalient materials.

Autor:	Ghasemlou S; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands., Li X; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands., Galimberti DR; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands., Nikitin T; Department of Chemistry, University of Coimbra, Coimbra 3004-535, Portugal., Fausto R; Department of Chemistry, University of Coimbra, Coimbra 3004-535, Portugal.; Faculty of Sciences and Letters, Department of Physics, Istanbul Kultur University, Bakirköy, Istanbul 34156, Türkiye., Xu J; School of Materials Science and Engineering, Nankai University, Tianjin 300350, People's Republic of China., Holleman S; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands., Rasing T; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands., Cuppen HM; Institute for Molecules and Materials, Radboud University, Nijmegen 6525, AJ, The Netherlands.; Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam 1098 XH, The Netherlands.
Jazyk:	angličtina
Zdroj:	Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Nov 12; Vol. 121 (46), pp. e2408366121. Date of Electronic Publication: 2024 Nov 05.
DOI:	10.1073/pnas.2408366121
Abstrakt:	The drastic shape deformation that accompanies the structural phase transition in thermosalient materials offers great potential for their applications as actuators and sensors. The microscopic origin of this fascinating effect has so far remained obscure, while for technological applications, it is important to learn how to drive transitions from one phase to another. Here, we present a combined computational and experimental study, in which we have successfully identified the order parameter for the thermosalient phase transition in the molecular crystal 2,7-di([1,1'-biphenyl]-4-yl)-fluorenone. Molecular dynamics simulations reveal that the transition barrier vanishes at the transition temperature. The simulations further show that two low-frequency vibrational-librational modes are directly related to the order parameter that describes this phase transition, which is supported by experimental Raman spectroscopy studies. By applying a computational THz pulse with the proper frequency and amplitude we predict that we can photoinduce this phase transition on a picosecond timescale. Competing Interests: Competing interests statement:The authors declare no competing interest.
Databáze:	MEDLINE
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