Publication: Anisotropy of the electric field gradient in two-dimensional alpha-MoO_(3) investigated by (57)^Mn((57)^Fe) emission mossbauer spectroscopy
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Publication Date
2022-07
Authors
Schell, Juliana
Zyabkin, Dmitry
Bharuth-Ram, Krish
Gonçalves, Joao N.
Gunnlaugsson, Haraldur P.
Tarazaga Martín-Luengo, Aitana
Schaaf, Peter
Bonanni, Alberta
Masenda, Hilary
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MDPI
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Abstract
Van der Waals alpha-MoO_(3) samples offer awide range of attractive catalytic, electronic, and optical properties. We present herein an emission Mossbauer spectroscopy (eMS) study of the electric-field gradient (EFG) anisotropy in crystalline free-standing alpha-MoO_(3) samples. Although alpha-MoO3 is a twodimensional (2D) material, scanning electron microscopy shows that the crystals are 0.5-5-mu m thick. The combination of X-ray diffraction and micro-Raman spectroscopy, performed after sample preparation, provided evidence of the phase purity and crystal quality of the samples. The eMS measurements were conducted following the implantation of (57)^Mn (t(1/ 2) = 1.5 min), which decays to the (57)^Fe, 14.4 keV Mossbauer state. The eMS spectra of the samples are dominated by a paramagnetic doublet (D1) with an angular dependence, pointing to the Fe^(2+) probe ions being in a crystalline environment. It is attributed to an asymmetric EFG at the eMS probe site originating from strong in-plane covalent bonds and weak out-of-plane van derWaals interactions in the 2D material. Moreover, a second broad component, D2, can be assigned to Fe^(3+) defects that are dynamically generated during the online measurements. The results are compared to ab initio simulations and are discussed in terms of the in-plane and out-of-plane interactions in the system
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© 2022 by the authors. Licensee MDPI
Artículo firmado por más de diez autores.
We acknowledge the financial support received from the Federal Ministry of Education and Research (BMBF) through grants 05K16PGA, 05K16SI1, and 05K19SI1 ‘eMIL’ and ‘eMMA’. We acknowledge the support of the European Union’s Horizon 2020 Framework research and innovation program under grant agreement no. 654002 (ENSAR2) given to the ISOLDE experiment IS611 ‘Study of molybdenum oxide by means of Perturbed Angular Correlations and Mössbauer
spectroscopy’. We further acknowledge Koichi Momma and Fujio Izumi, the creators of VESTA Version 3, for providing the license under Copyright (C) 2006–2021, Koichi Momma, and Fujio Izumi. We thank the Ministry of Economy and Competitiveness Consolider—Ingenio Project CSD2009 0013 ‘IMAGINE’ Spain, and Banco Santander-UCM, project PR87/19-22613. We also acknowledge Österreichische Forschungsförderungsgesellschaft funded projects Competence Headquarters Program E2-Spattertech, Austria, Project: FFGP13222004 and the Austrian Science Fund (FWF), Project: P31423. We are grateful for the support from the Icelandic University Research Fund. K. Bharuth-Ram, H. Masenda, and D. Naidoo acknowledge support from the South African National Research Foundation and the Department of Science and Innovation within the SA-CERN programme. H. Masenda also acknowledges support from the Alexander von Humboldt (AvH) Foundation. I. Unzueta acknowledges the support of Ministry of Economy and Competitiveness (MINECO/FEDER) for grant Nº RTI2018-094683-B-C55. J. N. Gonçalves acknowledges support from by CICECO-Aveiro Institute of Materials (POCI-01-0145-FEDER-007679)—FCT reference (UID/CTM/50011/2013).