First-Principles Computational Studies of Alkali-Doped C60 Fullerides PDF Download
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Category :
Languages : en
Pages : 10
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Book Description
Researchers at AT and T Bell Laboratories reported the discovery of superconductivity at 18 K in a potassium-doped fullerene solid, KxC60. This marked a major turning point in the young history of the C60 molecule 'buckminsterfullerene: from a hypothetical molecular (1085), to small-scale (mg) production of crystalline powders (1988), to large-scale synthesis (1990), to a material with the highest transition temperature of any molecular superconductor. This history represents only one of many research lines. Concurrently with the work at AT and T on partial doping, researchers at the Laboratory for Research on the Structure of Matter at the University of Pennsylvania were doping solid C60 to saturation with potassium. The resulting pure phase, K6C60, was characterized by x-ray diffraction in April 1991: the lattice was body-centered cubic, with the C60 molecules essentially undistorted, orientationally ordered, and each surrounded by a cage of 24 K atoms. Nothing was known about the electronic structure at this early stage.
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Category :
Languages : en
Pages : 10
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Book Description
Researchers at AT and T Bell Laboratories reported the discovery of superconductivity at 18 K in a potassium-doped fullerene solid, KxC60. This marked a major turning point in the young history of the C60 molecule 'buckminsterfullerene: from a hypothetical molecular (1085), to small-scale (mg) production of crystalline powders (1988), to large-scale synthesis (1990), to a material with the highest transition temperature of any molecular superconductor. This history represents only one of many research lines. Concurrently with the work at AT and T on partial doping, researchers at the Laboratory for Research on the Structure of Matter at the University of Pennsylvania were doping solid C60 to saturation with potassium. The resulting pure phase, K6C60, was characterized by x-ray diffraction in April 1991: the lattice was body-centered cubic, with the C60 molecules essentially undistorted, orientationally ordered, and each surrounded by a cage of 24 K atoms. Nothing was known about the electronic structure at this early stage.
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Category : Aeronautics
Languages : en
Pages : 1572
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Category : Science
Languages : en
Pages : 1266
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Author: Taku Onishi
Publisher: Springer Nature
ISBN: 9811500061
Category : Science
Languages : en
Pages : 547
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Book Description
This book collects recent topics of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry. It is written for computational and experimental chemists, including undergraduate students, who are working with advanced nanomaterials, where collaboration and interplay between computation and experiment are essential. After the general introduction of nanomaterials, several computational approaches are explained in Part II. Each chapter presents not only calculation methods but also concrete calculation results for advanced nanomaterials. Hydride ion conducting nanomaterials, high-k dielectric nanomaterials, and organic electronics are focused on. In Part III, the interplay between computational and experimental approaches is explained. The chapters show calculation results, combined with corresponding experimental data. Dimensionality of nanomaterials, electronic structure of oligomers and nanorods, carbon nanomaterials, and the electronic structure of a nanosized sandwich cluster is looked at carefully. In Part IV, functionality analysis is explained from the point of view of the experimental approach. The emphasis is on the mechanism of photoluminescence and hydrogen generation using silicon nanopowder, the superionic conducting mechanism of glass ceramics, nanoclusters formation on the surface of metal oxides, and the magnetic property of an organic one-dimensional nanochannel. Finally, forthcoming theoretical methods for excited states and quantum dynamics are introduced in Part V.
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Category : Research
Languages : en
Pages : 1840
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Book Description
Sections 1-2. Keyword Index.--Section 3. Personal author index.--Section 4. Corporate author index.-- Section 5. Contract/grant number index, NTIS order/report number index 1-E.--Section 6. NTIS order/report number index F-Z.
Author: Hisanori Shinohara
Publisher: John Wiley & Sons
ISBN: 1119942721
Category : Technology & Engineering
Languages : en
Pages : 288
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Book Description
Endohedral Metallofullerenes: Fullerenes with Metal Inside presents a comprehensive survey of the current state of knowledge on endohedral metallofullerenes, from preparation to functionalization, reactivity and applications. Following a brief historical overview, the book describes methods for synthesis, extraction, separation and purification, and provides an insight into the molecular and crystal structures. Subsequent chapters discuss various categories of endohedral metallofullerenes based on the encapsulated species, including carbides, nitrides, sulphides, oxides, non-metal and non-IPR endohedral metallofullerenes, followed by scanning tunneling microscopy studies and the examination of electronic, vibrational, magnetic and optical properties. The book concludes with chapters addressing the chemical functionalization of endohedral metallofullerenes, and applications ranging from solar cells to biomedicine.
Author: Puru Jena
Publisher: John Wiley & Sons
ISBN: 1119619521
Category : Science
Languages : en
Pages : 404
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Book Description
Explore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. Readers will also benefit from the inclusion of: A thorough introduction to the rational design of superatoms using electron-counting rules Explorations of superhalogens, endohedrally doped superatoms and assemblies, and magnetic superatoms A practical discussion of atomically precise synthesis of chemically modified superatoms A concise treatment of superatoms as the building blocks of 2D materials, as well as superatom-based ferroelectrics and cluster-based materials for energy harvesting and storage Perfect for academic researchers and industrial scientists working in cluster science, energy materials, thermoelectrics, 2D materials, and CO2 conversion, Superatoms: Principles, Synthesis and Applications will also earn a place in the libraries of interested professionals in chemistry, physics, materials science, and nanoscience.
Author: A. D. Bruce
Publisher:
ISBN:
Category : Crystallography
Languages : en
Pages : 344
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Book Description
Author: Nazario MartÃn
Publisher: John Wiley & Sons
ISBN: 9783527628759
Category : Science
Languages : en
Pages : 332
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Book Description
Written by an outstanding team of experts in the interdisciplinary areas of research, this book is based on a new classification of the different types of fullerene polymers according to their chemical structures. It covers all aspects, from different classes, to their synthesis and applications in material science. Of great interest to polymer and synthetic chemists, but also for material scientists and industrial chemists.
Author: Manijeh Razeghi
Publisher: Springer Science & Business Media
ISBN: 0387287515
Category : Technology & Engineering
Languages : en
Pages : 894
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Book Description
Provides a multidisciplinary introduction to quantum mechanics, solid state physics, advanced devices, and fabrication Covers wide range of topics in the same style and in the same notation Most up to date developments in semiconductor physics and nano-engineering Mathematical derivations are carried through in detail with emphasis on clarity Timely application areas such as biophotonics , bioelectronics
