A new two-dimensional metal–organic framework with high spin-filtering efficiency

文献情報

出版日 2015-06-08

DOI 10.1039/C5CP01359C

インパクトファクター 3.676

著者

Bikash Mandal, Pranab Sarkar

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要旨

Here we propose a family of two-dimensional organometallic lattices based on first principle calculations. The proposed lattice is designed by assembling molecular building blocks of a naphthalene molecule functionalized by –NH groups and transition metals which are surrounded by four –NH moieties, creating a square planar geometry. The predicted organometallic lattices (with Fe, Cr and Co) are shown to exhibit half metallicity and therefore this class of materials has great promise for application of spintronics.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.