Structural, Electronic and Optical Properties of Cadmium Sulfide Nanoparticles PDF Download
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Author: Johannes Frenzel
Publisher:
ISBN:
Category :
Languages : en
Pages : 123
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Book Description
Author: Johannes Frenzel
Publisher:
ISBN:
Category :
Languages : en
Pages : 123
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
In this work, the structural, electronic, and optical properties of CdS nanoparticles with sizes up to 4nm have been calculated using density-functional theory (DFT). Inaccuracies in the description of the unoccupied states of the applied density-functional based tight-binding method (DFTB) are overcome by a new SCF-DFTB method. Density-functional-based calculations employing linear-response theory have been performed on cadmium sulfide nanoparticles considering different stoichiometries, underlying crystal structures (zincblende, wurtzite, rocksalt), particle shapes (spherical, cuboctahedral, tetrahedral), and saturations (unsaturated, partly saturated, completely saturated). For saturated particles, the calculated onset excitations are strong excitonic. The quantum-confinement effect in the lowest excitation is visible as the excitation energy decreases towards the bulk band gap with increasing particle size. Dangling bonds at unsaturated surface atoms introduce trapped surface states which lie below the lowest excitations of the completely saturated particles. The molecular orbitals (MOs), that are participating in the excitonic excitations, show the shape of the angular momenta of a hydrogen atom (s, p). Zincblende- and wurtzite-derived particles show very similar spectra, whereas the spectra of rocksalt-derived particles are rather featureless. Particle shapes that confine the orbital wavefunctions strongly (tetrahedron) give rise to less pronounced spectra with lower oscillator strengths. Finally, a very good agreement of the calculated data to experimentally available spectra and excitation energies is found.
Author: Stanislav I. Sadovnikov
Publisher: Springer
ISBN: 3319563874
Category : Technology & Engineering
Languages : en
Pages : 329
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Book Description
This book presents and analyzes the influence of small size particles of lead, cadmium and silver sulfide on the properties of nonstoichiometric semiconductors. Important nonstoichiometry aspects in nanostructures are discussed, such as the distribution of sulfur atoms in nanofilms, a non-periodic distribution of the atomic planes in nanoparticles, interdependent changes in crystal structure of nanocrystalline material. Tuning the stoichiometry allows to obtain superionic conductivity and catalytic activity under visible light. The wavelength of the luminescence of nanoparticles changes with the size of the nanoparticles. Various methods to prepare nanostructured sulfides are described. Special attention is given to the hydrochemical bath deposition as a universal method for the synthesis of sulfides as nanofilms, stable colloidal solutions, quantum dots, isolated nanoparticles with a protective shell and heteronanostructures. The effect of nanoparticle size and nonstoichiometry on the band gap, optical and thermal properties of nanostructured sulfides is also considered. The novel applications of sulfide nanoparticles in nanoelectronics, catalysis, nanobiology and nanomedicine are sketched.
Author: Abdul Majid
Publisher: Springer
ISBN: 3319687530
Category : Technology & Engineering
Languages : en
Pages : 194
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Book Description
This book provides technological perspective and comprehensive overview on the research efforts related to II-VI group cadmium based semiconducting nanomaterials. It describes state-of-the-art information on different synthesis methods for preparation of these materials using a variety of experimental strategies. The effects of synthesis roots on structural, thermal, mechanical, lattice vibronic, electronic, optical and carrier transport characteristics of these nano-structures are systematically analyzed. A wide target readership comprising of students, researchers, scholars, scientists, technicians, academicians, industrialists can benefit from this book, as cadmium based semiconductors possess significant research and industrial interest thanks to their innovative properties.
Author: Jerzy Leszczynski
Publisher: Springer Science & Business Media
ISBN: 9400707118
Category : Science
Languages : en
Pages : 1451
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Book Description
The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.
Author: Paul Edward Sotak
Publisher:
ISBN:
Category : Cadmium sulfide
Languages : en
Pages : 218
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Book Description
Author: Jiaguo Yu
Publisher: Academic Press
ISBN: 0081028903
Category : Technology & Engineering
Languages : en
Pages : 602
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Book Description
Surface Science of Photocatalysis, Volume 32, summarizes significant findings on the surface science behind various classic and novel photocatalysts for energy and environmental applications, with special emphasis on important surface/interface processes in photocatalysis, such as interfacial charge transfer, function of co-catalysts, and adsorption over photocatalyst surface. This book timely and systematically reviews the state-of-the-art of the surface science in semiconductor-based photocatalysis, serving as a useful reference book for both new and experienced researchers in this field. Provides timely reviews on cutting-edge research on surface science and photocatalysts Comprehensively discusses novel photocatalysts, such as metal oxides, metal sulphides, graphitic carbon nitrides, graphene and metal-organics Presents important surface/interface processes in photocatalysis, like Z-scheme system and surface heterojunctions Investigates the function of co-catalysts and the adsorption on photocatalyst surfaces Edited by world-leading researchers in interface science
Author: S. V. Gaponenko
Publisher: Cambridge University Press
ISBN: 0521582415
Category : Science
Languages : en
Pages : 263
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Book Description
Examines the optical properties of low-dimensional semiconductor structures, a hot research area - for graduate students and researchers.
Author: Sunipa Roy
Publisher: CRC Press
ISBN: 1351642820
Category : Technology & Engineering
Languages : en
Pages : 299
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Book Description
Nano particles have created a high interest in recent years by virtue of their unusual mechanical, electrical, optical and magnetic properties and find wide applications in all fields of engineering. This edited volume aims to present the latest trends and updates in nanogenerators, thin film solar cells and green synthesis of metallic nanoparticles with a focus on nanostructured semiconductor devices. Exclusive chapter on electrical transport of nanostructure explains device physics for material properties for reduced dimensions. Additionally, the text describes the functionality of metallic nanoparticles and their application in molecular imaging and optical metamaterials. Piezoelectric nanogenerators has been touched upon from the energy perspective as well. Key Features: • Organized contents on Nanogenerators, VOC sensing, nanoelectronics, and NEMS. • Discusses eco-friendly green synthesis methods for metallic nanoparticles. • Touches upon low power nano devices (e.g. nanogenerators) for energy harvesting with quantum mechanical study. • Thin film/heterojunction based high efficiency solar cell addressed aimed at reducing global energy consumption.
Author: Dennis R. Salahub
Publisher: Royal Society of Chemistry
ISBN: 1839161787
Category : Science
Languages : en
Pages : 411
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Book Description
Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options.
