Effects of Oxidative Adsorbates and Cluster Formation on the Electronic Structure of Nanodiamonds PDF Download

Author: Thorren Kirschbaum
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

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Book Description
Abstract: Nanodiamonds (NDs) are modern high-potential materials relevant for applications in biomedicine, photocatalysis, and various other fields. Their electronic surface properties, especially in the liquid phase, are key to their function in the applications, but we show that they are sensitively modified by their interactions with the environment. Two important interaction modes are those with oxidative aqueous adsorbates as well as ND self-aggregation towards the formation of ND clusters. For planar diamond surfaces it is known that the electron density migrates from the diamond towards oxidative adsorbates, which is known as transfer doping. Here, we quantify this effect for highly curved NDs of varying sizes (35-147 C atoms) and surface terminations (H, OH, F), focusing on their interactions with the most abundant aqueous oxidative adsorbates (H3O+, O2, O3). We prove that the concept of transfer doping stays valid for the case of the high-curvature NDs and can be tuned via the ND's specific properties. Secondly, we investigate the electronic structures of clusters of NDs which are known to form in particular in aqueous dispersions. Upon cluster formation, we find that the optical gaps of the structures are significantly reduced, which explains why different experimental values were obtained for the optical gap of the same structures, and the cluster's LUMO shapes resemble atom-type orbitals, as in the case of isolated spherical NDs. Our findings have implications for ND applications as photocatalysts or electronic devices, where the specific electronic properties are key to the functionality of the ND material

Author: Hilke Bahmann
Publisher: Royal Society of Chemistry
ISBN: 1839169346
Category : Science
Languages : en
Pages : 217

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Book Description
Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.

Author: Olga Arsenyeva
Publisher: Springer Nature
ISBN: 3031201418
Category : Technology & Engineering
Languages : en
Pages : 878

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This book offers a comprehensive review of smart technologies and perspectives on their application in urban engineering. It covers a wide range of applications, from transport and energy management to digital manufacturing, smart city, environment, and sustainable development, providing readers with new ideas for future research and collaborations. This book presents select papers from the International Conference on Smart Technologies in Urban Engineering (STUE-2022), held to commemorate the 100th anniversary of the O.M. Beketov National University of Urban Economy in Kharkiv, Ukraine, on June 9–11, 2022. All the contributions offer plenty of valuable information and would be of great benefit to the experience exchange among scientists in urban engineering.

Author: H. Ibach
Publisher: Academic Press
ISBN: 1483259455
Category : Science
Languages : en
Pages : 379

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Book Description
Electron Energy Loss Spectroscopy and Surface Vibrations is devoted to electron energy loss spectroscopy as a probe of the crystal surface. Electrons with energy in the range of a few electron volts sample only a few atomic layers. As they approach or exit from the crystal, they interact with the vibrational modes of the crystal surface, or possibly with other elementary excitations localized there. The energy spectrum of electrons back-reflected from the surface is thus a rich source of information on its dynamics. The book opens with a detailed analysis of the physics that controls the operation of the monochromator, which is the core of the experimental apparatus. Separate chapters follow on the interaction of electrons with vibrational modes of the surface region and with other elementary excitations in the vicinity; the lattice dynamics of clean and adsorbate-covered surfaces, with emphasis on those features of particular relevance to surface vibrational spectroscopy; and selected applications vibration spectroscopy in surface physics and chemistry.

Author: Purusottam Jena
Publisher: World Scientific
ISBN: 9814493600
Category : Technology & Engineering
Languages : en
Pages : 760

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Book Description
This book deals with the evolution of the properties of clusters, nanostructures and cluster-based materials, with emphasis on the role of the interface. These materials are characterized by reduced size, dimension and symmetry, and possess many novel properties that are not commonly seen in their bulk phases. The topics include synthesis, nucleation, growth, characterization, atomic and electronic structure, dynamics, ultra-fast spectroscopy, stability; electrical, magnetic, optical, thermodynamic and catalytic properties of clusters (free and supported); cluster materials (self-assembled, ligated and embedded); nanostructures (quantum dots, wells and corrals; nanotubes and wires; colloidal and biological materials) and nano-technology (electronic, magnetic and optical devices). In addition to presenting the current status of the field, the book discusses outstanding problems and future directions.

Author: Dieter M. Gruen
Publisher: Springer Science & Business Media
ISBN:
Category : Science
Languages : en
Pages : 424

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Book Description
Ultrananocrystalline diamond (UNCD) is one of the important members of the triad of nanostructured carbons, which includes fullerenes and nanotubes. UNCD with characteristic sizes of primary particles less than 10 nm occurs in two forms: as a dispersed powder made by detonation techniques and as a chemical vapor deposited film. This book for the first time combines results of research pursued by the two communities of scientists, which up to now, have been working rather independently and largely unaware of the vast synergistic relationships existing between them. It is particularly noteworthy that much of the Russian work on disperse UNCD is available here in English for the first time. The outstanding experts in the two fields are represented in this volume discussing the basic theoretical concepts underlying the synthesis and characterization of these nanomaterials and describing progress that has been made in several areas of applications such as nanocomposites, selective adsorbents, colloidal suspensions, microabrasives, lubricants, quantum dots, cold-cathodes for UNCD particles and MEMS, biosensors, electrochemical, and nerve prostheses, high temperature, highly rectifying diodes, FET’s, thermoelectrics for UNCD films. This Proceedings volume will be of interest to a wide audience of scientists and engineers and serve as an introduction to an important and rapidly evolving field of nanoscience and nanomaterials; as a text for a special topics graduate course; or as a starting point for those interested in the development of new approaches to problems that have hitherto defied solution for lack of suitable materials.

Author: Guowei Yang
Publisher: CRC Press
ISBN: 9814241520
Category : Science
Languages : en
Pages : 1166

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Book Description
This book focuses on the fundamental concepts and physical and chemical aspects of pulsed laser ablation of solid targets in liquid environments and its applications in the preparation of nanomaterials and fabrication of nanostructures. The areas of focus include basic thermodynamic and kinetic processes of laser ablation in liquids, and its applic

Author: Alexander Vul'
Publisher: CRC Press
ISBN: 9814411280
Category : Science
Languages : en
Pages : 336

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Book Description
A comprehensive overview of detonation nanodiamond particles produced by detonation of carbon-containing explosives, this book discusses the technology of synthesis and the effect of various technological parameters on the structure and physicochemical properties of nanodiamonds. It explores the possibilities of targeted chemical modification of th

Author: Karl E. Spear
Publisher: John Wiley & Sons
ISBN: 9780471535898
Category : Technology & Engineering
Languages : en
Pages : 690

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Book Description
A riveting look at the science, technology and people involved in overcoming early impracticalities of the fledgling chemical vapor deposition (CVD) synthesis method and its development in today's state of commercial readiness. Provides insights into numerous vapor phase techniques. Surveys the synthesis, structure, properties and applications of diamondlike carbon. Details current and rapidly emerging applications, manufacturing and markets.

Author: Vivek Polshettiwar
Publisher: John Wiley & Sons
ISBN: 1118609808
Category : Technology & Engineering
Languages : en
Pages : 670

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Book Description
Exhibiting both homogeneous and heterogeneous catalytic properties, nanocatalysts allow for rapid and selective chemical transformations, with the benefits of excellent product yield and ease of catalyst separation and recovery. This book reviews the catalytic performance and the synthesis and characterization of nanocatalysts, examining the current state of the art and pointing the way towards new avenues of research. Moreover, the authors discuss new and emerging applications of nanocatalysts and nanocatalysis, from pharmaceuticals to fine chemicals to renewable energy to biotransformations. Nanocatalysis features contributions from leading research groups around the world. These contributions reflect a thorough review of the current literature as well as the authors’ first-hand experience designing and synthesizing nanocatalysts and developing new applications for them. The book’s nineteen chapters offer a broad perspective, covering: Nanocatalysis for carbon-carbon and carbon-heteroatom coupling reactions Nanocatalysis for various organic transformations in fine chemical synthesis Nanocatalysis for oxidation, hydrogenation, and other related reactions Nanomaterial-based photocatalysis and biocatalysis Nanocatalysts to produce non-conventional energy such as hydrogen and biofuels Nanocatalysts and nano-biocatalysts in the chemical industry Readers will also learn about the latest spectroscopic and microscopy tools used in advanced characterization methods that shed new light on nanocatalysts and nanocatalysis. Moreover, the authors offer expert advice to help readers develop strategies to improve catalytic performance. Summarizing and reviewing all the most important advances in nanocatalysis over the last two decades, this book explains the many advantages of nanocatalysts over conventional homogeneous and heterogeneous catalysts, providing the information and guidance needed for designing green, sustainable catalytic processes.