Articles de revues : « Magnetic molecule »

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RAMAN, KARTHIK V., NICOLAE ATODIRESEI et JAGADEESH S. MOODERA. « TAILORING FERROMAGNET–MOLECULE INTERFACES : TOWARDS MOLECULAR SPINTRONICS ». SPIN 04, n^o 02 (juin 2014) : 1440014. http://dx.doi.org/10.1142/s2010324714400141.

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Understanding the interaction of organic molecules adsorbed on magnetic surfaces has shown considerable progress in recent years. The creation of hybridized interface between carbon-based aromatic molecule and the magnetic surface is observed to give rise to new interface states with unique electronic and magnetic character. This study has opened up a molecular-design initiative to tailor the spin dependent electronic and magnetic functionalities of the hybrid interface. The purpose of this article is to provide a fundamental understanding of the spin-chemistry and spin-physics associated with the formation of such ferromagnet-molecule hybrid interfaces. We also discuss the recent progress in this field using state-of-the-art experiments and theoretical calculations with focus on the magnetic properties of the molecule and the magnetic surface. The study reveals several interesting interface phenomena: formation of induced molecular moment and exchange coupling with the magnetic surface, and molecular spin-filters. It also demonstrates significant changes in the magnetic anisotropy and inter-atomic magnetic exchange coupling of the magnetic surface. These studies open the possibilities of exploring new molecular functionalities toward further research in the subfield of interface-assisted molecular spintronics.

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Zlatanova, Jordanka, et Sanford H. Leuba. « Magnetic tweezers : a sensitive tool to study DNA and chromatin at the single-molecule level ». Biochemistry and Cell Biology 81, n^o 3 (1 juin 2003) : 151–59. http://dx.doi.org/10.1139/o03-048.

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The advent of single-molecule biology has allowed unprecedented insight into the dynamic behavior of biological macromolecules and their complexes. Unexpected properties, masked by the asynchronous behavior of myriads of molecules in bulk experiments, can be revealed; equally importantly, individual members of a molecular population often exhibit distinct features in their properties. Finally, the single-molecule approaches allow us to study the behavior of biological macromolecules under applied tension or torsion; understanding the mechanical properties of these molecules helps us understand how they function in the cell. In this review, we summarize the application of magnetic tweezers (MT) to the study of DNA behavior at the single-molecule level. MT can be conveniently used to stretch DNA and introduce controlled levels of superhelicity into the molecule and to follow to a high definition the action of different types of topoisomerases. Its potential for chromatin studies is also enormous, and we will briefly present our first chromatin results.Key words: single-molecules, chromatin, topoisomerases, magnetic tweezers, force.

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Laskowski, Lukasz, Iwan Kityk, Piotr Konieczny, Oleksandr Pastukh, Mateusz Schabikowski et Magdalena Laskowska. « The Separation of the Mn12 Single-Molecule Magnets onto Spherical Silica Nanoparticles ». Nanomaterials 9, n^o 5 (18 mai 2019) : 764. http://dx.doi.org/10.3390/nano9050764.

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The Mn12 single-molecule magnets (SMMs) could be attached to the surface of spherical silica for the first time with a high probability. This allowed separation of the individual molecular magnets and direct microscopic observation of the SMMs. We described in detail how to fabricate such a composite material. The synthesis procedure proposed here is simple and efficient. We confirmed the efficiency of the method by transmission electron microscopy (TEM): single-molecule magnets were visible at the surface of a silica substrate. Based on TEM observation, we described how the molecules anchor to the surface of silica (the geometry of the magnetic molecule in regard to the surface of the substrate). The SQUID magnetometry showed that single-molecule magnet behaviour is kept intact after grafting. The attachment of the single-molecule magnets to the surface of silica allows to investigate their properties as separate molecules. This is particularly important in the analysis of magnetic properties such as magnetic states of the separated SMMs, their mutual interactions, and the influence of a silica support.

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Wang, Bing-Wu, Zhe-Ming Wang et Song Gao. « Organometallic Single-Ion Magnets ». Acta Crystallographica Section A Foundations and Advances 70, a1 (5 août 2014) : C274. http://dx.doi.org/10.1107/s2053273314097253.

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The single-molecule magnets (SMMs) are attracting the increasing interesting due to their potential applications in high density information storage, quantum computing, molecular spintronics, and magnetic refrigeration. This field provides scientists a possible access into the crossover of the classical and quantum world, and a wonderful model to study the fascinating magnetic properties between microscopic and macroscopic materials, such as slow magnetization relaxation and quantum tunneling effect. After the milestone discovery of the first single-molecule magnets (SMMs) Mn12ac, many new SMMs were structurally and magnetically characterized. The most studied systems are mainly traditional coordination compounds with polynuclear structures. However, for the difficulties in the control of magnetic anisotropy and exchange coupling interactions of the cluster-type molecules, Mn12ac molecule is still one of the most important SMMs with the high relaxation barrier. From 2011 [1-3], we explored an organometallic sandwich molecule, Cp*ErCOT(Cp* = pentamethylcyclopenta-dienide; COT = cyclooctatetraenide), which behaves as a single-ion magnets, into the field of molecular nanomagnets. It opened a door of SMMs to the chemists in organometallic chemistry. Recently, we found some new sandwich or half-sandwich lanthanide organometallic molecules could also show the slow relaxation of magnetization. We hope these systems can provide new understandings of slow magnetic relaxation and new clues on the design and synthesis of molecular nanomagnets. This work was supported by NSFC, the National Basic Research Program of China.

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Wang, Bing-Wu, Xin-Yi Wang, Hao-Ling Sun, Shang-Da Jiang et Song Gao. « Evolvement of molecular nanomagnets in China ». Philosophical Transactions of the Royal Society A : Mathematical, Physical and Engineering Sciences 371, n^o 2000 (13 octobre 2013) : 20120316. http://dx.doi.org/10.1098/rsta.2012.0316.

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Molecular nanomagnets have been undergoing development for 20 years since the first single-molecule magnet (SMM), Mn 12 Ac, was characterized as the molecule-behaved magnet. The multi-disciplinary scientists promoted the magnetic characteristics to be more suitable for use in information science and spintronics. The concept of molecular nanomagnets has also evolved to include single-chain magnets (SCMs), single-ion magnets (SIMs) and even magnetic molecules that showed only slow magnetic relaxation, in addition to the initial cluster-type SMMs. In this review, several aspects, including SMMs, SCMs and SIMs, are introduced briefly through some representative examples. In particular, the contribution of Chinese chemists is highlighted in the design, synthesis and understanding of various types of molecular nanomagnets.

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Tyagi, Pawan. « Molecule Induced Strong Coupling between Ferromagnetic Electrodes of a Molecular Spintronics Device ». Materials Science Forum 736 (décembre 2012) : 32–54. http://dx.doi.org/10.4028/www.scientific.net/msf.736.32.

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Utilizing molecules for tailoring the exchange coupling strength between ferromagnetic electrodes can produce novel metamaterials and molecular spintronics devices (MSD). A practical way to produce such MSD is to connect the molecular channels to the electrodes of a magnetic tunnel junction (MTJ). This paper discusses the dramatic changes in the properties of MTJ testbed of a MSD due to molecular device elements with a net spin state. When organometallic molecular complexes (OMCs) were bridged across the insulator along the exposed side edges, a MTJ testbed exhibited entirely different magnetic response in magnetization, ferromagnetic resonance and magnetic force microscopy studies. OMCs only affected the ferromagnetic material when it was serving as the electrode of a tunnel junction. Molecule produced the strongest effect on the MTJ with electrodes of dissimilar magnetic hardness. This study encourages the validation of this work and exploration of similar observations with the other combinations MTJs and molecules, like single molecular magnet, porphyrin, and molecular clusters.

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Tyagi, Pawan, Christopher D'Angelo et Collin Baker. « Monte Carlo and Experimental Magnetic Studies of Molecular Spintronics Devices ». Nano 10, n^o 04 (juin 2015) : 1550056. http://dx.doi.org/10.1142/s1793292015500563.

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Molecule-based spintronics devices (MSDs) are highly promising candidates for discovering advanced logic and memory computer units. An advanced MSD will require the placement of paramagnetic molecules between the two ferromagnetic (FM) electrodes. Due to extreme fabrication challenges, only a couple of experimental studies could be performed to understand the effect of magnetic molecules on the overall magnetic and transport properties of MSDs. To date, theoretical studies mainly focused on charge and spin transport aspects of MSDs; there is a dearth of knowledge about the effect of magnetic molecules on the magnetic properties of MSDs. This paper investigates the effect of magnetic molecules, with a net spin, on the magnetic properties of 2D MSDs via Monte Carlo (MC) simulations. Our MC simulations encompass a wide range of MSDs that can be realized by establishing different kinds of magnetic interactions between molecules and FM electrodes at different temperatures. The MC simulations show that ambient thermal energy strongly influenced the molecular coupling effect on the MSD. We studied the nature and strength of molecule couplings (FM and antiferromagnetic) with the two electrodes on the magnetization, specific heat and magnetic susceptibility of MSDs. For the case when the nature of molecule interaction was FM with one electrode and antiferromagnetic with another electrode the overall magnetization shifted toward zero. In this case, the effect of molecules was also a strong function of the nature and strength of direct coupling between FM electrodes. In the case when molecules make opposite magnetic couplings with the two FM electrodes, the MSD model used for MC studies resembled with the magnetic tunnel junction based MSD. The experimental magnetic studies on these devices are in agreement with our theoretical MC simulations results. Our MC simulations will enable the fundamental understanding and designing of a wide range of novel spintronics devices utilizing a variety of molecules, nanoclusters and quantum dots as the device elements.

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Czap, Gregory, Peter J. Wagner, Feng Xue, Lei Gu, Jie Li, Jiang Yao, Ruqian Wu et W. Ho. « Probing and imaging spin interactions with a magnetic single-molecule sensor ». Science 364, n^o 6441 (16 mai 2019) : 670–73. http://dx.doi.org/10.1126/science.aaw7505.

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Magnetic single atoms and molecules are receiving intensifying research focus because of their potential as the smallest possible memory, spintronic, and qubit elements. Scanning probe microscopes used to study these systems have benefited greatly from new techniques that use molecule-functionalized tips to enhance spatial and spectroscopic resolutions and enable new sensing capabilities. We demonstrate a microscopy technique that uses a magnetic molecule, Ni(cyclopentadienyl)2, adsorbed at the apex of a scanning probe tip, to sense exchange interactions with another molecule adsorbed on a Ag(110) surface in a continuously tunable fashion in all three spatial directions. We further used the probe to image contours of exchange interaction strength, revealing angstrom-scale regions where the quantum states of two magnetic molecules strongly mix. Our results pave the way for new nanoscale imaging capabilities based on magnetic single-molecule sensors.

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Zheng, Yan-Zhen, Guo-Jun Zhou, Zhiping Zheng et Richard E. P. Winpenny. « Molecule-based magnetic coolers ». Chem. Soc. Rev. 43, n^o 5 (2014) : 1462–75. http://dx.doi.org/10.1039/c3cs60337g.

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Coronado, Eugenio, Fernando Palacio et Jaume Veciana. « Molecule-Based Magnetic Materials ». Angewandte Chemie International Edition 42, n^o 23 (16 juin 2003) : 2570–72. http://dx.doi.org/10.1002/anie.200390487.

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Tscherbul, T. V., Yu V. Suleimanov, V. Aquilanti et R. V. Krems. « Magnetic field modification of ultracold molecule–molecule collisions ». New Journal of Physics 11, n^o 5 (14 mai 2009) : 055021. http://dx.doi.org/10.1088/1367-2630/11/5/055021.

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Levitt, Malcolm H. « Spectroscopy of light-molecule endofullerenes ». Philosophical Transactions of the Royal Society A : Mathematical, Physical and Engineering Sciences 371, n^o 1998 (13 septembre 2013) : 20120429. http://dx.doi.org/10.1098/rsta.2012.0429.

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Molecular endofullerenes are supramolecular systems consisting of fullerene cages encapsulating small molecules. Although most early examples consist of encapsulated metal clusters, recently developed synthetic routes have provided endofullerenes with non-metallic guest molecules in high purity and macroscopic quantities. The encapsulated light molecule behaves as a confined quantum rotor, displaying rotational quantization as well as translational quantization, and a rich coupling between the translational and rotational degrees of freedom. Furthermore, many encapsulated molecules display spin isomerism. Spectroscopies such as inelastic neutron scattering, nuclear magnetic resonance and infrared spectroscopy may be used to obtain information on the quantized energy level structure and spin isomerism of the guest molecules. It is also possible to study the influence of the guest molecules on the cages, and to explore the communication between the guest molecules and the molecular environment outside the cage.

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Geagea, Elie, Judicael Jeannoutot, Frank Palmino et Frédéric Chérioux. « On-Surface Reactivity of Disubstituted-Bianthryl Molecules on Cu(111) and Au(111) Surfaces ». ECS Journal of Solid State Science and Technology 11, n^o 3 (1 mars 2022) : 035006. http://dx.doi.org/10.1149/2162-8777/ac5d67.

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On-surface π-conjugated 1D polymers, like graphene nanoribbons, have emerged as a class of promising materials. On-surface chemical properties of 9,9′-bianthryl molecules are widely developed as they can be used as starting building blocks to provide graphene nanoribbons. Here, we propose to investigate the chemical behavior of 10,10′-disubstituted-9,9′-bianthryl molecules on Cu(111) and Au(111) surfaces by using scanning tunneling microscopy under ultra-high vacuum. We demonstrated that the balance between molecule-molecule interaction, molecule-substrate interaction, and molecular rearrangement, drastically alter the chemical properties of the adsorbed molecule by thermal annealing.

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Tyagi, Pawan, Edward Friebe et Collin Baker. « Advantages of Prefabricated Tunnel Junction-Based Molecular Spintronics Devices ». Nano 10, n^o 04 (juin 2015) : 1530002. http://dx.doi.org/10.1142/s1793292015300029.

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Molecule-based devices may govern the advancement of the next generation's logic and memory devices. Molecules have the potential to be unmatched device elements as chemists can mass produce an endless variety of molecules with novel optical, magnetic and charge transport characteristics. However, the biggest challenge is to connect two metal leads to a target molecule(s) and develop a robust and versatile device fabrication technology that can be adopted for commercial scale mass production. This paper discusses distinct advantages of utilizing commercially successful tunnel junctions as a vehicle for developing molecular spintronics devices. We describe the use of a prefabricated tunnel junction with the exposed sides as a testbed for molecular device fabrication. On the exposed sides of a tunnel junction molecules are bridged across an insulator by chemically bonding with the two metal electrodes; sequential growth of metal–insulator–metal layers ensures that separation between two metal electrodes is controlled by the insulator thickness to the molecular device length scale. This paper highlights various attributes of tunnel junction-based molecular devices with ferromagnetic electrodes for making molecular spintronics devices. We strongly emphasize a need for close collaboration between chemists and magnetic tunnel junction (MTJ) researchers. Such partnerships will have a strong potential to develop tunnel junction-based molecular devices for futuristic areas such as memory devices, magnetic metamaterials, high sensitivity multi-chemical biosensors, etc.

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Bednarski, Henryk, et Jozef Spałek. « Bound-magnetic-polaron molecule in diluted magnetic semiconductors ». Journal of Physics : Condensed Matter 24, n^o 23 (10 mai 2012) : 235801. http://dx.doi.org/10.1088/0953-8984/24/23/235801.

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Awaga, Kunio, Eugenio Coronado et Marc Drillon. « Hybrid Organic/Inorganic Magnets ». MRS Bulletin 25, n^o 11 (novembre 2000) : 52–57. http://dx.doi.org/10.1557/mrs2000.224.

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The construction of more and more complex systems starting from elemental molecular units used as building blocks is propelling several disciplines of burgeoning interest, such as supramolecular chemistry, molecular electronics, and molecular magnetism. In the particular context of magnetic molecular materials, an attractive possibility for adding complexity to the material is to use a hybrid approach in which an organic component is combined with an inorganic one. Both purely organic and purely inorganic approaches (see the articles in this issue by Veciana and Iwamura and by Miller, respectively) have been used extensively to obtain molecule-based magnets. The combination of these two kinds of magnetic molecular components has also been successfully explored to design polymeric magnets of different dimensionalities (the metal-radical approach). In this last case, both components play a magnetic role. A step forward in achieving multifunctionality is to design hybrid molecular materials formed by two independent molecular networks, such as anion/cation salts or host/guest solids, whereby each network furnishes distinct physical properties to the solid. This novel class of materials is interesting because it can give rise to the development of materials in which two properties in the same crystal lattice coexist, or materials that exhibit improved properties over those of the individual networks, or to new, unexpected properties due to the mutual interactions between them. One can imagine, for example, the combination of an extended inorganic magnetic layer opening the pathway to cooperative magnetism, with an organic or organometallic molecule that acts as a structural component controlling the interlayer separation. If the molecule inserted between the layers has unpaired electrons, a hybrid compound is produced that combines cooperative magnetism and paramagnetism. Other suitable combinations, such as electronic conductivity and magnetism, or nonlinear optics and magnetism, can also be achieved by wisely choosing the constituent molecules. In this article, we report some relevant examples that illustrate the potential of this hybrid approach in the context of molecule-based magnetic materials.

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Li, Feifei, Jing Huang, Jianing Wang et Qunxiang Li. « Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption ». Molecules 24, n^o 9 (6 mai 2019) : 1747. http://dx.doi.org/10.3390/molecules24091747.

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Control over spin states at the single molecule level is a key issue in the emerging field of molecular spintronics. Here, we explore the chemical adsorption effect on the magnetic and spin-transport properties of individual magnetic molecule by performing extensive density functional theory calculations in combining with non-equilibrium Green’s function method. Theoretical results clearly reveal that the molecular magnetic moment of Mn-salophen can be effectively tuned by adsorbing F and CO on the central Mn cation, while the adsorbed NO molecule quenches the molecular magnetic moment. Without chemical adsorption, the currents through Mn-salophen molecular junction just show a little distinction for two spin channels, which agrees well with previous investigation. Remarkably, the conductive channel can be switched from the spin-up electrons to the spin-down electrons via adsorbing F and CO, respectively, and the corresponding two Mn-salophen molecular junctions with chemical modifications display nearly perfect spin-filtering effect. The observed spin switch and the predicted spin-filtering effect via chemical adsorption indicates that Mn-salophen holds potential applications in molecular spintronic devices.

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Nufus, T. H., R. P. A. Setiawan, W. Hermawan et A. H. Tambunan. « The Effect of Electro Magnetic Field Intensity to Biodiesel Characteristics ». Jurnal Pendidikan Fisika Indonesia 13, n^o 2 (16 juillet 2017) : 119–26. http://dx.doi.org/10.15294/jpfi.v13i2.9477.

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Various studies of diesel fuel optimization have been done, one of them by using a permanent magnet on the fuel line, the lack of magnetic field intensity decreases along with time increasing by using an electromagnetic field. The purpose of this study is to analyse the biodiesel fuel characteristics due to exposure of electromagnetic fields in terms of the viscosity and vibration of these fuel molecules. Electromagnetic field is generated from wire coil of 5000-9000 on galvanum pipe with diameter of 1.5 cm and length of 10 cm and connected to 12 V batteries. Here, biodiesel fuel is inserted in a galvanum tube, magnetized for 1200 s, and tested its viscosity of the falling ball system by viscometer. Fuel functional groups as well as vibrations between fuel molecules are tested with FTIR. The results show that the magnetized fuel changes. The viscosity of fuels from 2933 to 2478 and an increasing in the absorption of fuel molecules ranges from 13-58%. Therefore, the increasing of vibrating fuel molecules decreases its molecular attraction tug. These indicate that the magnetized fuel molecule causes a changing in the fuel molecule, cluster becomes de-clustered. It is a potential method to clarify the phenomenon of fuel magnetization due to its efficient combustion process.

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Ciesielski, Wojciech, Tomasz Girek, Zdzisław Oszczęda, Jacek A. Soroka et Piotr Tomasik. « Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon porphine ». BioRisk 18 (30 juin 2022) : 93–104. http://dx.doi.org/10.3897/biorisk.18.80607.

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Background: Recognizing effects of static magnetic field (SMF) of varying flux density on flora and fauna is attempted. For this purpose the influence of SMF upon the porphine molecule is studied. Methods: Computations of the effect of static magnetic field (SMF) of 0.0, 0.1, 1, 10 and 100 AFU (1 AFU > 1000 T) flux density were performed in silico for SMF changes distribution of the electron density in that molecule. HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecule of porphine. The computations of polarizability, charge distribution, potential and dipole moment for molecules placed in SMF were performed for molecule situated subsequently in the x-y, y-z and x-z planes of the Cartesian system. The computations involved the DFT 3-21G method. Results: Static magnetic field (SMF) decreased stability of the porphine molecule. This effect depended on the situating the molecule in respect to the direction of SMF of the Cartesian system. An increase in the value of heat of formation was accompanied by an increase in dipole moment. Conclusions: Observed effects resulted from deformations of the molecule which involved pyrrole rings holding the hydrogen atoms at the ring nitrogen atoms and the length of the C–H and N–H bonds. In a consequence that macrocyclic ring lost its planarity.

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Dahal, Bishnu R., Andrew Grizzle, Christopher D’Angelo, Vincent Lamberti et Pawan Tyagi. « Competing Easy-Axis Anisotropies Impacting Magnetic Tunnel Junction-Based Molecular Spintronics Devices (MTJMSDs) ». International Journal of Molecular Sciences 23, n^o 22 (21 novembre 2022) : 14476. http://dx.doi.org/10.3390/ijms232214476.

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Molecular spintronics devices (MSDs) attempt to harness molecules’ quantum state, size, and configurable attributes for application in computer devices—a quest that began more than 70 years ago. In the vast number of theoretical studies and limited experimental attempts, MSDs have been found to be suitable for application in memory devices and futuristic quantum computers. MSDs have recently also exhibited intriguing spin photovoltaic-like phenomena, signaling their potential application in cost-effective and novel solar cell technologies. The molecular spintronics field’s major challenge is the lack of mass-fabrication methods producing robust magnetic molecule connections with magnetic electrodes of different anisotropies. Another main challenge is the limitations of conventional theoretical methods for understanding experimental results and designing new devices. Magnetic tunnel junction-based molecular spintronics devices (MTJMSDs) are designed by covalently connecting paramagnetic molecules across an insulating tunneling barrier. The insulating tunneling barrier serves as a mechanical spacer between two ferromagnetic (FM) electrodes of tailorable magnetic anisotropies to allow molecules to undergo many intriguing phenomena. Our experimental studies showed that the paramagnetic molecules could produce strong antiferromagnetic coupling between two FM electrodes, leading to a dramatic large-scale impact on the magnetic electrode itself. Recently, we showed that the Monte Carlo Simulation (MCS) was effective in providing plausible insights into the observation of unusual magnetic domains based on the role of single easy-axis magnetic anisotropy. Here, we experimentally show that the response of a paramagnetic molecule is dramatically different when connected to FM electrodes of different easy-axis anisotropies. Motivated by our experimental studies, here, we report on an MCS study investigating the impact of the simultaneous presence of two easy-axis anisotropies on MTJMSD equilibrium properties. In-plane easy-axis anisotropy produced multiple magnetic phases of opposite spins. The multiple magnetic phases vanished at higher thermal energy, but the MTJMSD still maintained a higher magnetic moment because of anisotropy. The out-of-plane easy-axis anisotropy caused a dominant magnetic phase in the FM electrode rather than multiple magnetic phases. The simultaneous application of equal-magnitude in-plane and out-of-plane easy-axis anisotropies on the same electrode negated the anisotropy effect. Our experimental and MCS study provides insights for designing and understanding new spintronics-based devices.

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Cococcioni, Matteo, et Andrea Floris. « Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface ». Applied Sciences 11, n^o 9 (23 avril 2021) : 3806. http://dx.doi.org/10.3390/app11093806.

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The magnetic states and the magnetic anisotropy barrier of a transition metal molecular complex, dimolybdenum tetraacetate, are investigated via density functional theory (DFT). Calculations are performed in the gas phase and on a calcite (10.4) bulk insulating surface, using the Generalized-Gradient Approximation (GGA)-PBE and the Hubbard-corrected DFT + U and DFT + U + V functionals. The molecular complex (denoted MoMo) contains two central metallic molybdenum atoms, embedded in a square cage of acetate groups. Recently, MoMo was observed to form locally regular networks of immobile molecules on calcite (10.4), at room conditions. As this is the first example of a metal-coordinated molecule strongly anchored to an insulator surface at room temperature, we explore here its magnetic properties with the aim to understand whether the system could be assigned features of a single molecule magnet (SMM) and could represent the basis to realize stable magnetic networks on insulators. After an introductory review on SMMs, we show that, while the uncorrected GGA-PBE functional stabilizes MoMo in a nonmagnetic state, the DFT + U and DFT + U + V approaches stabilize an antiferromagnetic ground state and several meta-stable ferromagnetic and ferrimagnetic states. Importantly, the energy landscape of magnetic states remains almost unaltered on the insulating surface. Finally, via a noncollinear magnetic formalism and a newly introduced algorithm, we calculate the magnetic anisotropy barrier, whose value indicates the stability of the molecule’s magnetic moment.

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Packwood, D. M., K. T. Reaves, F. L. Federici, H. G. Katzgraber et W. Teizer. « Two-dimensional molecular magnets with weak topological invariant magnetic moments : mathematical prediction of targets for chemical synthesis ». Proceedings of the Royal Society A : Mathematical, Physical and Engineering Sciences 469, n^o 2160 (8 décembre 2013) : 20130373. http://dx.doi.org/10.1098/rspa.2013.0373.

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An open problem in applied mathematics is to predict interesting molecules that are realistic targets for chemical synthesis. In this paper, we use a spin Hamiltonian-type model to predict molecular magnets (MMs) with magnetic moments that are intrinsically robust under random shape deformations to the molecule. Using the concept of convergence in probability, we show that for MMs in which all spin centres lie in-plane and all spin centre interactions are ferromagnetic, the total spin of the molecule is a ‘weak topological invariant’ when the number of spin centres is sufficiently large. By weak topological invariant, we mean that the total spin of the molecule depends only upon the arrangement of spin centres in the molecule, and is unlikely to change under shape deformations to the molecule. Our calculations show that only between 20 and 50 spin centres are necessary for the total spin of these MMs to be a weak topological invariant. The robustness effect is particularly enhanced for two-dimensional ferromagnetic MMs that possess a small number of spin rings in the structure.

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Oshio, Hiroki, et Motohiro Nakano. « High-Spin Molecules with Magnetic Anisotropy toward Single-Molecule Magnets ». Chemistry - A European Journal 11, n^o 18 (5 septembre 2005) : 5178–85. http://dx.doi.org/10.1002/chem.200401100.

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Nagture, Mr Virendra, Mr Rohan Patil, Mr Ashish Hol, Mr Rushiraj Watekar et Prof Nilesh Pawar. « Performance of SI Engine under the Effect of Magnetic Field by using CNG, Petrol and Ethanol ». International Journal for Research in Applied Science and Engineering Technology 10, n^o 5 (31 mai 2022) : 252–57. http://dx.doi.org/10.22214/ijraset.2022.42162.

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Abstract: The invention resides within the field of treatment of hydrocarbon fuels in liquid or gaseous form, to extend the fuelburning efficiency, by exposing the fuel in containment vessels or conduits to a shaped uniform field of force with a relentless directional flux. Hydrocarbon fuels have long branched geometric chains of carbon atoms which tend to fold over onto themselves and on adjoining molecules because of inter molecular electromagnetic attraction existing between like molecules or atoms. It is vital to grasp that in a very fluid that's subjected to an external field the electron excitation (magnetic moment) occurring, affects molecular orientation. because the axis of the electrons become aligned with the external magnetic flux, the momentum of the molecule not averages intent on zero, as within the normal case in molecules not possessing permanent dipole moments. This accommodation is attributed to the very fact that on the molecular level, a spinning electron subjected to an accurate amount of electromagnetic energy will captivate that energy and "spinflip" into an aligned state. When a magnetism is applied, the instant as seen by the electron excitation, causes the molecule to tend to align with the direction of the field of force. The momentum of the molecule not averages dead set zero because the axis of the electrons aligns with the external magnetic flux, because it does in molecules without permanent dipole moments. The fluctuating dipole moments under the influence of the external flux acquire a net attraction, which produces a stronger bonding with an oxygen ion. As a result of the complex fuel, molecules tend to uncluster, straighten and produce higher combustion efficiencies. the rise in combustion efficiency is because of the unfolding of the hydrocarbon molecules which produce an increased extent for more complete oxidation of the fuel. The unfolding of the fuel molecules is that the major effect of the dipole being off from its neutral state by the applied field of force. Increased combustion yields increased fuel efficiency, with lower hydrocarbon emissions from hydrocarbon-based fuelburning apparatus. However, certain problems remain to be overcome, like whether to focus the force field con or directional alignment, determine flux strength, select appropriate magnetic materials and determine mounting arrangements for the best efficiency. The effect is to stop scaling from occurring on the inner walls of the conduit from the liquid flowing there through by forcing the molecules which might attach themselves to the inner walls of the conduit toward the middle of the conduit. Keywords: The magnetic effect, Combustion, Emissions, paramagnetic, diamagnetic, aligns & orientation, efficiency

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Reiss, Guenter, Hubert Brueckl, Andreas Huetten, Joerg Schotter, Monika Brzeska, Michael Panhorst, Daniela Sudfeld et al. « Magnetoresistive sensors and magnetic nanoparticles for biotechnology ». Journal of Materials Research 20, n^o 12 (1 décembre 2005) : 3294–302. http://dx.doi.org/10.1557/jmr.2005.0409.

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Magnetoresistive biosensors use a new detection method for molecular recognition reactions based on two recently developed techniques and devices: Magnetic markers and XMR sensors, where XMR means either giant magnetoresistance (GMR) or tunneling magnetoresistance (TMR). The markers are specifically attached to the target molecules, and their magnetic stray field is picked up by an embedded magnetoresistive sensor as a change of the electrical resistance. Compared to established, e.g., fluorescent, detection methods, magnetic biosensors have a number of advantages, including low molecular detection limits, flexibility, and the direct availability of an electronic signal suitable for further automated analysis. This makes them a promising choice for the detection units of future widespread and easy-to-use lab-on-a-chip systems or biochips. In this article, we discuss recent advances in this field and compare possible approaches toward single molecule detection.

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Suh, B. J., D. Procissi, J. K. Jung, S. Bud’ko, W. S. Jeon, Y. J. Kim et D. Y. Jung. « Magnetic properties and spin dynamics in magnetic molecule {Mn3} ». Journal of Applied Physics 93, n^o 10 (15 mai 2003) : 7098–100. http://dx.doi.org/10.1063/1.1555875.

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Holmberg, Rebecca J., et Muralee Murugesu. « Adhering magnetic molecules to surfaces ». Journal of Materials Chemistry C 3, n^o 46 (2015) : 11986–98. http://dx.doi.org/10.1039/c5tc03225c.

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In this review we aim to present an overview of the work that has been performed on attaching and studying Single-Molecule Magnets (SMMs) on various surfaces, with an emphasis on molecular design for surface interaction and on the magnetic properties before and after adhesion occurs.

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Ni, Yuhua, et Qun Huo. « Langmuir and Langmuir-Blodgett film preparation and study of a metalloporphyrin dimer molecule ». Journal of Porphyrins and Phthalocyanines 09, n^o 04 (avril 2005) : 275–84. http://dx.doi.org/10.1142/s1088424605000356.

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Two iron complexes of a porphyrin dimer molecule were synthesized and studied at the air-water interface and in Langumir-Blodgett (LB) films. Surface pressure-area isotherm and UV-vis absorption spectroscopic studies revealed an interesting molecular switching behavior between the two iron porphyrin complexes under basic or acidic conditions. Such a reversible structural transition does not only occur in solution phase, but readily takes place in the deposited Langmuir-Blodgett films. Domains with strip or disk-like shapes were formed in the Langmuir films of the metalloporphyrin complexes when barbituric acid was added into the subphase, an indication of supramolecular network formation between the metalloporphyrin dimer and barbituric acid molecules. Magnetic property studies of the Langmuir-Blodgett films of the iron porphyrin complexes by magnetic force microscopy provide further insights into relationships between the magnetic response and molecular structures of the metalloporphyrin LB films.

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Ungur, Liviu, Shuang-Yan Lin, Jinkui Tang et Liviu F. Chibotaru. « Single-molecule toroics in Ising-type lanthanide molecular clusters ». Chem. Soc. Rev. 43, n^o 20 (2014) : 6894–905. http://dx.doi.org/10.1039/c4cs00095a.

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Aravena, Daniel, et Eliseo Ruiz. « Spin dynamics in single-molecule magnets and molecular qubits ». Dalton Transactions 49, n^o 29 (2020) : 9916–28. http://dx.doi.org/10.1039/d0dt01414a.

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Shafizadeh, N., M. Raoult, M. Horani, S. Guizard et D. Gauyacq. « Rydberg molecule in a magnetic field ». Journal de Physique II 2, n^o 4 (avril 1992) : 683–700. http://dx.doi.org/10.1051/jp2:1992159.

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Schmelcher, P. « Molecule Formation in Ultrahigh Magnetic Fields ». Science 337, n^o 6092 (19 juillet 2012) : 302–3. http://dx.doi.org/10.1126/science.1224869.

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Lionnet, T., J. F. Allemand, A. Revyakin, T. R. Strick, O. A. Saleh, D. Bensimon et V. Croquette. « Single-Molecule Studies Using Magnetic Traps ». Cold Spring Harbor Protocols 2012, n^o 1 (22 décembre 2011) : pdb.top067488. http://dx.doi.org/10.1101/pdb.top067488.

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Ma, Hong-Man, Hui-Yan Zhao, Jing Wang et Ying Liu. « Re6C32 : A Magnetic Pentagonal Icositetrahedron Molecule ». Journal of Physical Chemistry A 124, n^o 22 (6 mai 2020) : 4440–44. http://dx.doi.org/10.1021/acs.jpca.0c02474.

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W�llen, Christoph. « Magnetic properties of the BH molecule ». Theoretica Chimica Acta 87, n^o 1-2 (novembre 1993) : 89–95. http://dx.doi.org/10.1007/bf01113531.

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Stenning, Gavin B. G., Graham J. Bowden, Lewis C. Maple, Simon A. Gregory, Alberto Sposito, Robert W. Eason, Nikolay I. Zheludev et Peter A. J. de Groot. « Magnetic control of a meta-molecule ». Optics Express 21, n^o 2 (14 janvier 2013) : 1456. http://dx.doi.org/10.1364/oe.21.001456.

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Kahn, Olivier. « Magnetic anisotropy in molecule–based magnets ». Philosophical Transactions of the Royal Society of London. Series A : Mathematical, Physical and Engineering Sciences 357, n^o 1762 (novembre 1999) : 3005–23. http://dx.doi.org/10.1098/rsta.1999.0478.

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Akhtar, Naureen, Graeme R. Blake, Roberto Felici, Heinz Amenitsch, Thomas T. M. Palstra et Petra Rudolf. « Design of molecule-based magnetic conductors ». Nano Research 7, n^o 12 (11 septembre 2014) : 1832–42. http://dx.doi.org/10.1007/s12274-014-0543-7.

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Yoshino, Tomoko, et Tadashi Matsunaga. « Efficient and Stable Display of Functional Proteins on Bacterial Magnetic Particles Using Mms13 as a Novel Anchor Molecule ». Applied and Environmental Microbiology 72, n^o 1 (janvier 2006) : 465–71. http://dx.doi.org/10.1128/aem.72.1.465-471.2006.

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ABSTRACT Magnetic particles are increasingly used for various biomedical applications because they are easy to handle and separate from biological samples. In this work, a novel anchor molecule was used for targeted protein display onto magnetic nanoparticles. The magnetic bacterium Magnetospirillum magneticum AMB-1 synthesizes intracellular bacterial magnetic particles (BMPs) covered with a lipid bilayer membrane. In our recent research, an integral BMP membrane protein, Mms13, was isolated and used as an anchor molecule to display functional proteins onto BMPs. The anchoring properties of Mms13 were confirmed by luciferase fusion studies. The C terminus of Mms13 was shown to be expressed on the surface of BMPs, and Mms13 was bound to magnetite directly and tightly permitting stable localization of a large protein, luciferase (61 kDa), on BMPs. Consequently, luminescence intensity obtained from BMPs using Mms13 as an anchor molecule was >400 or 1,000 times higher than Mms16 or MagA, which previously were used as anchor molecules. Furthermore, the immunoglobulin G-binding domain of protein A (ZZ) was displayed uniformly on BMPs using Mms13, and antigen was detected by transmission electron microscopy using antibody-labeled gold nanoparticles on a single BMP displaying the ZZ-antibody complex. The results of this study demonstrated the utility of Mms13 as a molecular anchor, which will facilitate the assembly of other functional proteins onto BMPs in the near feature.

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Wu, Dong-Fang, Kiyonori Takahashi, Masaru Fujibayashi, Naoto Tsuchiya, Goulven Cosquer, Rui-Kang Huang, Chen Xue, Sadafumi Nishihara et Takayoshi Nakamura. « Fluoride-bridged dinuclear dysprosium complex showing single-molecule magnetic behavior : supramolecular approach to isolate magnetic molecules ». RSC Advances 12, n^o 33 (2022) : 21280–86. http://dx.doi.org/10.1039/d2ra04119g.

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(Na+)(benzo[18]crown-6) forms a bamboo-like supramolecular architecture within the crystal. Dinuclear Dy complexes with polyoxometalate ligands embedded between bamboo nodes exhibited a clear single-molecule magnet (SMM) response.

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Christou, George. « Single-molecule magnets : a molecular approach to nanoscale magnetic materials ». Polyhedron 24, n^o 16-17 (novembre 2005) : 2065–75. http://dx.doi.org/10.1016/j.poly.2005.03.021.

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Nomura, Toshihiro, Yasuhiro H. Matsuda et Tatsuo C. Kobayashi. « Solid and Liquid Oxygen under Ultrahigh Magnetic Fields ». Oxygen 2, n^o 2 (25 mai 2022) : 152–63. http://dx.doi.org/10.3390/oxygen2020013.

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Oxygen is a unique molecule that possesses a spin quantum number S=1. In the condensed phases of oxygen, the delicate balance between the antiferromagnetic interaction and van der Waals force results in the various phases with different crystal structures. By applying ultrahigh magnetic fields, the antiferromagnetic coupling between O2 molecules breaks, and novel high-field phases can appear. We have investigated the physical properties of condensed oxygen under ultrahigh magnetic fields and have found that the stable crystal structure of solid oxygen changes around 100 T. Even in liquid oxygen, we observed a strong acoustic attenuation, which indicates the fluctuation of local molecular arrangements. These results demonstrate that magnetic fields can modulate the packing structure of oxygen through spin-lattice coupling. Our study implies the possibility of controlling oxygen-related (bio-)chemical processes by using an external magnetic field.

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Wen, Huimin, Wengang Li, Jiewei Chen, Gen He, Longhua Li, Mark A. Olson, Andrew C. H. Sue, J. Fraser Stoddart et Xuefeng Guo. « Complex formation dynamics in a single-molecule electronic device ». Science Advances 2, n^o 11 (novembre 2016) : e1601113. http://dx.doi.org/10.1126/sciadv.1601113.

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Single-molecule electronic devices offer unique opportunities to investigate the properties of individual molecules that are not accessible in conventional ensemble experiments. However, these investigations remain challenging because they require (i) highly precise device fabrication to incorporate single molecules and (ii) sufficient time resolution to be able to make fast molecular dynamic measurements. We demonstrate a graphene-molecule single-molecule junction that is capable of probing the thermodynamic and kinetic parameters of a host-guest complex. By covalently integrating a conjugated molecular wire with a pendent crown ether into graphene point contacts, we can transduce the physical [2]pseudorotaxane (de)formation processes between the electron-rich crown ether and a dicationic guest into real-time electrical signals. The conductance of the single-molecule junction reveals two-level fluctuations that are highly dependent on temperature and solvent environments, affording a nondestructive means of quantitatively determining the binding and rate constants, as well as the activation energies, for host-guest complexes. The thermodynamic processes reveal the host-guest binding to be enthalpy-driven and are consistent with conventional 1H nuclear magnetic resonance titration experiments. This electronic device opens up a new route to developing single-molecule dynamics investigations with microsecond resolution for a broad range of chemical and biochemical applications.

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Naniyil, Vineetha, Yijia Zhou, Guy Simmonds, Nathan Cooper, Weibin Li et Lucia Hackermüller. « Observation of collectivity enhanced magnetoassociation of ⁶Li in the quantum degenerate regime ». New Journal of Physics 24, n^o 11 (1 novembre 2022) : 113005. http://dx.doi.org/10.1088/1367-2630/ac9b81.

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Abstract The association process of Feshbach molecules is well described by a Landau–Zener (LZ) transition above the Fermi temperature, such that two-body physics dominates the dynamics. However, using 6Li atoms and the associated Feshbach resonance at B r = 834.1 G, we observe an enhancement of the atom–molecule coupling as the fermionic atoms reach degeneracy, demonstrating the importance of many-body coherence not captured by the conventional LZ model. In the experiment, we apply a linear association ramp ranging from adiabatic to non-equilibrium molecule association for various temperatures. We develop a theoretical model that explains the temperature dependence of the atom–molecule coupling. Furthermore, we characterize this dependence experimentally and extract the atom–molecule coupling coefficient as a function of temperature, finding qualitative agreement between our model and experimental results. In addition, we simulate the dynamics of molecular association during a nonlinear field ramp. We find that, in the non-equilibrium regime, molecular association efficiency can be enhanced by sweeping the magnetic field cubically with time. Accurate measurement of the atom–molecule coupling coefficient is important for both theoretical and experimental studies of molecular association and many-body collective dynamics.

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Tang, Hao, Nathalie Tarrat, Véronique Langlais et Yongfeng Wang. « Adsorption of iron tetraphenylporphyrin on (111) surfaces of coinage metals : a density functional theory study ». Beilstein Journal of Nanotechnology 8 (23 novembre 2017) : 2484–91. http://dx.doi.org/10.3762/bjnano.8.248.

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The adsorption of the iron tetraphenylporphyrin (FeTPP) molecule in its deckchair conformation was investigated on Au(111), Ag(111) and Cu(111) surfaces by performing spin-polarized density functional theory (DFT) calculations taking into account both van der Waals (vdW) interaction and on-site Coulomb repulsion. The deckchair conformation of the molecule favours intermolecular π–π-type interactions in a less densely packed monolayer than the saddle conformation. The activation barrier between the two stable magnetic states (high spin, S = 2 and intermediate spin, S = 1) of the molecule in vacuum disappears upon adsorption on the metal surfaces. The high-spin state of physisorbed FeTPP is stable on all adsorption sites. This result reveals that an external permanent element such as a STM tip or an additional molecule is needed to use FeTPP or similar molecules as model system for molecular spin switches.

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Pan, Haiyang, Xiaobo Wang, Qiaoming Wang, Xiaohua Wu, Chang Liu, Nian Lin et Yue Zhao. « Proximity Effect of Epitaxial Iron Phthalocyanine Molecules on High-Quality Graphene Devices ». Chinese Physics Letters 38, n^o 8 (1 septembre 2021) : 087201. http://dx.doi.org/10.1088/0256-307x/38/8/087201.

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Depositing magnetic insulators on graphene has been a promising route to introduce magnetism via exchange proximity interaction in graphene for future spintronics applications. Molecule-based magnets may offer unique opportunities because of their synthesis versatility. Here, we investigate the magnetic proximity effect of epitaxial iron phthalocyanine (FePc) molecules on high-quality monolayer and bilayer graphene devices on hexagonal boron nitride substrates by probing the local and nonlocal transport. Although the FePc molecules introduce large hole doping effects combined with mobility degradation, the magnetic proximity gives rise to a canted antiferromagnetic state under a magnetic field in the monolayer graphene. On bilayer graphene and FePc heterostructure devices, the nonlocal transport reveals a pronounced Zeeman spin-Hall effect. Further analysis of the scattering mechanism in the bilayer shows a dominated long-range scattering. Our findings in graphene/organic magnetic insulator heterostructure provide a new insight for use of molecule-based magnets in two-dimensional spintronic devices.

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Grizzle, Andrew, Christopher D'Angelo, José Martínez-Lillo et Pawan Tyagi. « Spin state of a single-molecule magnet (SMM) creating long-range ordering on ferromagnetic layers of a magnetic tunnel junction – a Monte Carlo study ». RSC Advances 11, n^o 51 (2021) : 32275–85. http://dx.doi.org/10.1039/d1ra05473b.

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Paramagnetic single-molecule magnets (SMMs) interacting with the ferromagnetic electrodes of a magnetic tunnel junction (MTJ) produce new molecular spintronics testbed and highly ordered magnetic metamaterial promising for room temperature.

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Voskoboynikov, O., et C. M. J. Wijers. « Magnetic Qubit in a Non-Magnetic Semiconductor Quantum Dot Molecule ». Journal of Computational and Theoretical Nanoscience 7, n^o 9 (1 septembre 2010) : 1723–26. http://dx.doi.org/10.1166/jctn.2010.1536.

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Kondo, Hisashi, et Takahisa Ohno. « Spintronic transport of a non-magnetic molecule between magnetic electrodes ». Applied Physics Letters 103, n^o 23 (2 décembre 2013) : 233115. http://dx.doi.org/10.1063/1.4840176.

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Lazzeretti, P. « Magnetic properties of a molecule in non-uniform magnetic field ». Theoretica Chimica Acta 87, n^o 1-2 (novembre 1993) : 59–73. http://dx.doi.org/10.1007/bf01113529.

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