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DTSTAMP:20250822T115805Z
LOCATION:Room 5.2A17
DTSTART;TZID=Europe/Stockholm:20250618T100000
DTEND;TZID=Europe/Stockholm:20250618T103000
UID:submissions.pasc-conference.org_PASC25_sess148_msa276@linklings.com
SUMMARY:Control of Magnetic Interactions in Diradicals and 2D Organic Mate
 rials by Means of Electric Fileds
DESCRIPTION:Jordi Ribas-Arino (University of Barcelona)\n\nMagnetoelectric
  materials in which applied electric fields (E-fields) can control magneti
 c properties are inherently compatible with existing E-field gated electro
 nics and hold huge promise for new technological applications (e.g. low po
 wer spintronic devices).[1] At present, transition metal-based inorganic s
 ystems dominate this field. However, magnetoelectric systems that leverage
  the unique benefits of organic materials could emerge as a new platform f
 or spintronic technologies. Based on DFT calculations on organic diradical
 s consisting of two spin centers connected by dipolar aryl linkers, it wil
 l be shown that E-fields can induce significant twisting of the linkers. T
 his twisting alters π-conjugation and, consequently, the magnetic coupling
  between spin centers. The magnetoelectric response is influenced by steri
 c hindrance, π-conjugation and polarization. This approach is also applica
 ble to 2D covalent organic frameworks. Additionally, we will present our r
 ecent efforts to develop new quantum-inspired representations for accurate
  and efficient Machine Learning protocols to predict magnetic couplings be
 tween organic radicals[2]. [1] X. Liang, et al. IEEE Trans. Magn., 2021, 5
 7, 400157. [2] R. Santiago, S. Vela, M. Deumal, J. Ribas-Arino. Digital Di
 scovery, 2024, 3, 99.\n\nDomain: Chemistry and Materials\n\nSession Chair:
  Marco Lattuada (Universiity of Fribourg)\n\n
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