7 results on '"Massine Kelai"'
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2. Mechanoelastic simulations of monolayer lattices of spin crossover molecules on a substrate
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Anastasia Railean, Massine Kelai, Amandine Bellec, Vincent Repain, Marie-Laure Boillot, Talal Mallah, Laurentiu Stoleriu, Cristian Enachescu, Alexandru Ioan Cuza University of Iași [Romania], Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Romanian Ministry of Education and Research, CNCS-UEFISCDI, Project No. PN-III-P4-ID-PCE-2020-1946, PHC Brancusi program, and European Project: 766726,211587,COSMICS(2017)
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[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat] - Abstract
International audience; In this paper, we discuss in the framework of a mechanoelastic model the electronic and mechanical behavior of a single layer of spin crossover molecules self-organized on a substrate. We consider the molecules situated in a face-centered-cubic structure interacting in between and with sites in the substrate by the way of connecting springs with given elastic constants. The main experimental results are reproduced, i.e., typical thermal transitions with their incompleteness of the hysteresis loop, residual fractions after low-temperature relaxations, cooperativity, or kinetic features. However, we prove that the simple model, implying fixed neighbors on the substrate for every spin crossover molecule, leads in some cases to unphysical situations, corresponding to unexpected large curvatures of the spin crossover layer. Therefore, to go further, we allow every spin crossover molecule to change its adsorption site on the substrate at every moment, by connecting to the closest molecules on the substrate. This approach, corroborated with the use of different densities of the sites on the substrate, allows us to simulate further experimental observations, such as the appearance of cracks inside the layer or periodic arrangements of apparent heights of spin crossover molecules on the layer leading to moiré patterns, for which experimental data are also provided.
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- 2023
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3. Voltage-Induced Bistability of Single Spin-Crossover Molecules in a Two-Dimensional Monolayer
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Marie-Laure Boillot, Jérôme Lagoute, Kaushik Bairagi, Massine Kelai, Amandine Bellec, Vincent Repain, Yongfeng Tong, Yann Girard, Sylvie Rousset, Talal Mallah, Cristian Enachescu, Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Alexandru Ioan Cuza University of Iași [Romania], and European Project: 766726,211587,COSMICS(2017)
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Materials science ,Spintronics ,Spin states ,Bistability ,Relaxation (NMR) ,[CHIM.MATE]Chemical Sciences/Material chemistry ,Molecular physics ,law.invention ,Spin crossover ,law ,Monolayer ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,General Materials Science ,Physical and Theoretical Chemistry ,Scanning tunneling microscope ,Spin-½ - Abstract
International audience; Bistable spin-crossover molecules are particularly interesting for the development of innovative electronic and spintronic devices as they present two spin states that can be controlled by external stimuli. In this paper, we report the voltage-induced switching of the high spin/low spin electronic states of spin-crossover molecules self-assembled in dense 2D networks on Au(111) and Cu(111) by scanning tunneling microscopy at low temperature. On Au(111), voltage pulses lead to the nonlocal switching of the molecules from any─high or low─spin state to the other followed by a spontaneous relaxation toward their initial state within minutes. On the other hand, on Cu(111), single molecules can be addressed at will. They retain their new electronic configuration after a voltage pulse. The memory effect demonstrated on Cu(111) is due to an interplay between long-range intermolecular interaction and molecule/substrate coupling as confirmed by mechanoelastic simulations.
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- 2021
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4. Negative Differential Resistance in Spin-Crossover Molecular Devices
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Dongzhe Li, Yongfeng Tong, Kaushik Bairagi, Massine Kelai, Yannick J. Dappe, Jérôme Lagoute, Yann Girard, Sylvie Rousset, Vincent Repain, Cyrille Barreteau, Mads Brandbyge, Alexander Smogunov, Amandine Bellec, Centre d'élaboration de matériaux et d'études structurales (CEMES), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Service de physique de l'état condensé (SPEC - UMR3680), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), and Danmarks Tekniske Universitet = Technical University of Denmark (DTU)
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Coulomb blockade ,Condensed Matter - Mesoscale and Nanoscale Physics ,Negative differential resistance ,Landauer-Büttiker scattering theory ,Spin-crossover molecule ,Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ,scanning tunneling microscopy ,FOS: Physical sciences ,General Materials Science ,Physical and Theoretical Chemistry ,[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat] ,Condensed Matter::Mesoscopic Systems and Quantum Hall Effect ,density functional theory - Abstract
We demonstrate, based on low-temperature scanning tunneling microscopy (STM) and spectroscopy, a pronounced negative differential resistance (NDR) in spin-crossover (SCO) molecular devices, where a Fe$^{\text{II}}$ SCO molecule is deposited on surfaces. The STM measurements reveal that the NDR is robust with respect to substrate materials, temperature, and the number of SCO layers. This indicates that the NDR is intrinsically related to the electronic structure of the SCO molecule. Experimental results are supported by density functional theory (DFT) with non-equilibrium Green's functions (NEGF) calculations and a generic theoretical model. While the DFT+NEGF calculations reproduce NDR for a special atomically-sharp STM tip, the effect is attributed to the energy-dependent tip density of states rather than the molecule itself. We, therefore, propose a Coulomb blockade model involving three molecular orbitals with very different spatial localization as suggested by the molecular electronic structure., Comment: 4 figures
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- 2022
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5. Thermal Bistability of an Ultrathin Film of Iron(II) Spin-Crossover Molecules Directly Adsorbed on a Metal Surface
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Cristian Enachescu, Yann Girard, Massine Kelai, Philippe Sainctavit, Marie-Laure Boillot, M.-A. Arrio, Arthur Tauzin, Jérôme Lagoute, Sylvie Rousset, Edwige Otero, Talal Mallah, Weibin Li, Vincent Repain, Amandine Bellec, Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Alexandru Ioan Cuza University of Iasi, University of Iasi, Grant of the Romanian ministry of research, Innovation and Digitization, CNCS/CCCDI-UEFISCDI, project N° PN-III-P4-ID-PCE-2020-1946, European Project: 766726,211587,COSMICS(2017), Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), and SOLEIL Synchrotron, L'Orme des Merisiers, 91198 Gif-sur-Yvette, France
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Materials science ,Absorption spectroscopy ,Bistability ,02 engineering and technology ,Substrate (electronics) ,[CHIM.INOR]Chemical Sciences/Inorganic chemistry ,010402 general chemistry ,01 natural sciences ,Condensed Matter::Materials Science ,symbols.namesake ,Thermal Bistability ,Spin crossover ,Monolayer ,General Materials Science ,[CHIM.COOR]Chemical Sciences/Coordination chemistry ,Physical and Theoretical Chemistry ,ComputingMilieux_MISCELLANEOUS ,Arrhenius equation ,Substrate Interaction ,Spintronics ,Mechanoelastic Model ,[CHIM.MATE]Chemical Sciences/Material chemistry ,021001 nanoscience & nanotechnology ,0104 chemical sciences ,X-ray Absorption Spectroscopy ,Spin-Crossover ,Chemical physics ,symbols ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,0210 nano-technology - Abstract
Spin-crossover molecules are very attractive compounds to realize multifunctional spintronic devices. Understanding their properties when deposited on metals is therefore crucial for their future rational implementation as ultrathin films in such devices. Using X-ray absorption spectroscopy, we study the thermal transition of the spin-crossover compound FeII((3,5-(CH3)2Pz)3BH)2 from submonolayer to multilayers on a Cu(111) substrate. We determine how the residual fraction of high spin molecules at low temperature, as well as the bistability range and the temperature of switching, depends on the layer thickness. The most spectacular effect is the clear opening of a 35 ± 9 K thermal hysteresis loop for a 3.0 ± 0.7 monolayers thick film. To better understand the role played by the substrate and the dimensionality on the thermal bistability, we have performed Monte Carlo Arrhenius simulations in the framework of a mechanoelastic model that include a molecule-substrate interaction. This model reproduces well the main features observed experimentally and can predict how the spin-crossover transition is modified by the thickness and the substrate interaction.
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- 2021
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6. Robust magnetic anisotropy of a monolayer of hexacoordinate Fe( ii ) complexes assembled on Cu(111)
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Olga Iasco, V. Repain, Cyril Chacon, Massine Kelai, Mihail Atanasov, Régis Guillot, Edwige Otero, Philippe Sainctavit, Marie-Laure Boillot, Luqiong Zhang, Frank Neese, Talal Mallah, Jérôme Lagoute, Eric Rivière, Benjamin Cahier, S. Rousset, Amandine Bellec, Marie-Anne Arrio, Anne-Laure Barra, Yann Girard, Yongfeng Tong, Mathématique et Physique Quantique (MPQ), Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Max Planck Institute for Chemistry (MPIC), Max-Planck-Gesellschaft, Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences (BAS), Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), Synchrotron SOLEIL (SSOLEIL), Laboratoire national des champs magnétiques intenses - Grenoble (LNCMI-G ), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPC), Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA)
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Tris ,Materials science ,chemistry.chemical_element ,FOS: Physical sciences ,02 engineering and technology ,Substrate (electronics) ,[CHIM.INOR]Chemical Sciences/Inorganic chemistry ,010402 general chemistry ,01 natural sciences ,Inorganic Chemistry ,chemistry.chemical_compound ,spin crossover ,monolayer ,Monolayer ,Molecule ,[CHIM.COOR]Chemical Sciences/Coordination chemistry ,ZFS ,Boron ,theoretical calculations ,Condensed Matter - Materials Science ,magnetic anisotropy ,XMCD ,Fe(II) ,Ligand ,Hexacoordinate ,Materials Science (cond-mat.mtrl-sci) ,[CHIM.MATE]Chemical Sciences/Material chemistry ,021001 nanoscience & nanotechnology ,0104 chemical sciences ,3. Good health ,Magnetic anisotropy ,Crystallography ,chemistry ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,0210 nano-technology - Abstract
International audience; The tris pyrazolyl borate ligand imposes a rigid scaffold around Fe( ii ) ensuring a robust magnetic anisotropy when the molecules assembled as monolayers suffer from the dissymmetric environment of the substrate/vacuum interface.
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- 2021
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7. Anomalous Light‐Induced Spin‐State Switching for Iron(II) Spin‐Crossover Molecules in Direct Contact with Metal Surfaces
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Massine Kelai, Sylvie Rousset, Cyril Chacon, Philippe Sainctavit, Edwige Otero, Luqiong Zhang, Vincent Repain, Amandine Bellec, Yongfeng Tong, Marie-Laure Boillot, M.-A. Arrio, Talal Mallah, Yann Girard, Eric Rivière, Jérôme Lagoute, Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement [IRD] : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Matériaux et Phénomènes Quantiques (MPQ (UMR_7162)), Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), European Project: 766726,211587,COSMICS(2017), Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), and Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
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Materials science ,Spin states ,02 engineering and technology ,[CHIM.INOR]Chemical Sciences/Inorganic chemistry ,010402 general chemistry ,Molecular physics ,01 natural sciences ,Catalysis ,LIESST ,Spin crossover ,[CHIM.COOR]Chemical Sciences/Coordination chemistry ,ComputingMilieux_MISCELLANEOUS ,Valence (chemistry) ,010405 organic chemistry ,General Chemistry ,[CHIM.MATE]Chemical Sciences/Material chemistry ,General Medicine ,Photoelectric effect ,021001 nanoscience & nanotechnology ,0104 chemical sciences ,X-ray Absorption Spectroscopy ,Spin-Crossover ,Molecule / metal interface ,Excited state ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,Condensed Matter::Strongly Correlated Electrons ,Light induced transition ,0210 nano-technology ,Excitation ,Visible spectrum - Abstract
Light‐induced spin‐state switching is one of the most attractive properties of spin‐crossover materials. In bulk, low‐spin (LS) to high‐spin (HS) conversion via the light‐induced excited spin‐state trapping (LIESST) effect may be achieved with a visible light, while the HS‐to‐LS one (reverse‐LIESST) requires an excitation in the near‐infrared range. Now, it is shown that those phenomena are strongly modified at the interface with a metal. Indeed, an anomalous spin conversion is presented from HS state to LS state under blue light illumination for FeII spin‐crossover molecules that are in direct contact with metallic (111) single‐crystal surfaces (copper, silver, and gold). To interpret this anomalous spin‐state switching, a new mechanism is proposed for the spin conversion based on the light absorption by the substrate that can generate low energy valence photoelectrons promoting molecular vibrational excitations and subsequent spin‐state switching at the molecule–metal interface.
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