0000000000684903

AUTHOR

Naresh S. Dalal

showing 2 related works from this author

Molecular spin qubits based on lanthanide ions encapsulated in cubic polyoxopalladates: design criteria to enhance quantum coherence

2015

The family of cubic polyoxopalladates encapsulating lanthanide ions [LnPd12(AsPh)8O32]5− where Ln = Tb, Dy, Ho, Er and Tm, is magnetically characterised and theoretically described by the Radial Effective Charge (REC) model and a phenomenological crystal-field approach using the full-hamiltonian, in the SIMPRE and CONDON packages respectively. The lack of anisotropy generates an extraordinarily rich energy level structure at low temperatures, which allows us to study how such a structure is affected by lifting the strict cubic symmetry and/or by applying an external magnetic field. In particular, we will explore the possibility of using these cubic Ln complexes as spin-qubits. We will focus…

LanthanideQuantum decoherenceCondensed matter physicsChemistryUNESCO::QUÍMICA02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology:QUÍMICA [UNESCO]01 natural sciencesEffective nuclear charge0104 chemical sciencesIonMagnetic fieldInorganic ChemistryQubit0210 nano-technologySpin (physics)AnisotropyInorganic Chemistry Frontiers
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Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

2019

Nanostructured materials are essential building blocks for the fabrication of new devices for energy harvesting/storage, sensing, catalysis, magnetic, and optoelectronic applications. However, because of the increase of technological needs, it is essential to identify new functional materials and improve the properties of existing ones. The objective of this Viewpoint is to examine the state of the art of atomic-scale simulative and experimental protocols aimed to the design of novel functional nanostructured materials, and to present new perspectives in the relative fields. This is the result of the debates of Symposium I "Atomic-scale design protocols towards energy, electronic, catalysis…

010405 organic chemistrySensing applicationsChemistryNanostructured materials: Physics [G04] [Physical chemical mathematical & earth Sciences]Physik (inkl. Astronomie)010402 general chemistry01 natural sciencesAtomic units0104 chemical sciencesInorganic Chemistry: Physique [G04] [Physique chimie mathématiques & sciences de la terre]Systems engineeringMultilayers | Interfaces (materials) | Individual layermaterials theory computational DFT modellingPhysical and Theoretical ChemistryEnergy harvestingEnergy (signal processing)Inorganic Chemistry
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