Study of Structural and Physical Properties of Early Transition Metal Chalcogenides and Halides PDF Download

Author: Kyungsoo Ahn
Publisher:
ISBN:
Category :
Languages : en
Pages : 206

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Author: Syed Muhammad Alay-e-Abbas
Publisher: LAP Lambert Academic Publishing
ISBN: 9783844324990
Category :
Languages : en
Pages : 100

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Book Description
Ground-state structural properties of alkali metal chalcogenides have been studied in the framework of density functional theory (DFT) using local density approximation (LDA), Perwed-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) and Wu-Cohen (WC) GGA parameterization schemes. Electronic band structure of alkali metal chalcogenide compounds have been calculated using the aforementioned schemes as well as the modified GGA proposed by Engel and Vosko (EV). The calculated structural parameters for all 16 materials have been compared with earlier theoretical and experimental data. Electronic density of states for these compounds has been presented and behavior in electronic properties analyzed. Optical properties are obtained in terms of real and imaginary parts of incident photon's frequency dependent complex dielectric function. Trends in the physical properties of this important crystal facmily have been identified and discussed in the context of their applications in technologically important opto-electronic devices.

Author: Suresh Sagadevan
Publisher: BoD – Books on Demand
ISBN: 0854661859
Category : Science
Languages : en
Pages : 112

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Book Description
Investigate the chalcogenides with this comprehensive consideration of their structural and chemical characteristics. This book provides a deep dive for researchers, material scientists, and inquisitive minds. • Explore the bonding patterns and atomic arrangements that define chalcogenides. • Unravel the unique crystal structures of various chalcogenide families, from layered wonders to complex networks. • Gain a thorough understanding of the factors governing chalcogenide formation and composition. • Have an impact on structural and chemical features by the electrical, optical, and other properties of chalcogenides. • Implement the vast applications of chalcogenides in fields ranging from photonics and electronics to energy storage and catalysis. • Learn the structural and chemical features of chalcogenides to provide a rich understanding of these versatile materials, positioning you to unlock their potential for groundbreaking advancements.

Author: Kwasi Mitchell
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Forty members of the ALnMQ3 (A = Rb, Cs; Ln = Rare-earth, Y; M = Mn, Zn, Cd, Hg; Q = S, Se, Te) family of semiconductors have been synthesized using the reactive-flux method at temperatures in excess of 1123 K. These isostructural materials crystallize in the layered KZrCuS3 structure type in the orthorhombic space group Cmcm. The structure is composed of two-dimensional 2infinity [LnMQ3] layers that stack perpendicular to [010] and are separated by layers of face- and edge-sharing AQ8 bicapped trigonal prisms. The materials are paramagnetic with the exception of CsYbZnS 3, RbYbZnSe3, and CsYbMSe3 (M = Mn, Zn) which exhibit a spin-glass-like transition near 10 K. The optical band gap energy of the ALnMQ3 compounds varies with chemical substitution from approximately 1.6 eV to 2.6 eV. Also, the optical band gap energy of the materials varies by up to 0.2 eV based upon crystal orientation. The calculation of the total and partial density-of-states of the CsYMSe3 (M = Zn, Cd, Hg) compounds indicate that the highest occupied molecular orbitals are primarily Se1 (4p) and Se2 (4p) in character, whereas the lowest unoccupied molecular orbitals have contributions from M (ns and np), Y (4d), and Se (4s and 4p). The colors and optical band gaps of the ALnMQ3 materials may be manipulated through a variety of chemical substitutions and that the compounds are an interesting and potentially useful new class of optical materials.

Author: Philip John Squattrito
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Author: P. S. Coffin
Publisher:
ISBN:
Category :
Languages : en
Pages : 109

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Author:
Publisher:
ISBN:
Category : Dissertation abstracts
Languages : en
Pages : 800

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Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 1008

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Book Description
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.

Author: Stanley M Whittingha
Publisher: Elsevier
ISBN: 0323140408
Category : Science
Languages : en
Pages : 614

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Book Description
Intercalation Chemistry introduces the specialist reader to the breadth of intercalation chemistry and the newcomer to the diverse research opportunities and challenges available in synthetic and reaction chemistry and also in the controlled modification of physical properties. Topics covered range from graphite chemistry to sheet silicate intercalates, diffusion and shape-selective catalysis in zeolites, organic and organometallic intercalation compounds of the transition metal dichalcogenides, and solvated intercalation compounds of layered chalcogenide and oxide bronzes. This book is comprised of 18 chapters and begins with an introduction to intercalation chemistry. The discussions that follow focus on the intercalation chemistry of graphite and of complex oxides with both two (clays and acid phosphates)- and three (zeolites)-dimensional structures, along with organic conversions that have been discovered using essentially smectite (i.e., montmorillonite- and hectorite-based) intercalates. The next chapters focus on ß-aluminas, acid salts of tetravalent metals with layered structure, and layered chalcogenides and halides with simple and hydrated cations as well as organic and organometallic ions. The book also considers the chemistry, thermodynamics, and applications of intermetallic compounds that incorporate hydrogen, intercalation in the context of biological systems, crystallographic shear structures, and intercalation reactions of oxides and chalcogenides of vanadium, molybdenum, and tungsten. The final chapter touches on the physical properties of some intercalation compounds of the dichalcogenides. This book is intended for researchers in the various materials science disciplines.

Author: Mohammad Mansoob Khan
Publisher: Elsevier
ISBN: 0128209178
Category : Technology & Engineering
Languages : en
Pages : 378

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Book Description
Chalcogenide-Based Nanomaterials as Photocatalysts deals with the different types of chalcogenide-based photocatalytic reactions, covering the fundamental concepts of photocatalytic reactions involving chalcogenides for a range of energy and environmental applications. Sections focus on nanostructure control, synthesis methods, activity enhancement strategies, environmental applications, and perspectives of chalcogenide-based nanomaterials. The book offers guidelines for designing new chalcogenide-based nanoscale photocatalysts at low cost and high efficiency for efficient utilization of solar energy in the areas of energy production and environment remediation. Provides information on the development of novel chalcogenide-based nanomaterials Outlines the fundamentals of chalcogenides-based photocatalysis Includes techniques for heterogeneous catalysis based on chalcogenide-based nanomaterials