Carbon Materials: Chemistry and Physics – serie

Fullerenes and nanotubes are two classes of carbon structures or allotropes, which were discovered about 17 years ago. Since that time, many chemical derivatives have been synthesized using fullerenes and nanotubes as building blocks.Particularly promising was the theory that the chemical properties of fullerenes, and certain derivatives, made them likely candidates for anticancer drugs, inhibitors of viruses such as HIV, or even as anti-bacterials. Their cyctotoxicity can also be controlled by specific circumstances.In addition, the funtionalization of nanotubes has not only produced relatively simple derivatives, but also complex hybrids with biological macromolecules, which show unique supramolecular architecture and which are promising in many medical applications.The application of fullerenes and nanotubes in medicine is at the frontier of our knowledge, thus the work in this field represents the basis for future novel developments.

During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is needed to make significant progress in the carbon field.This volume provides the reader with a survey of state-of-the-art theoretical and computational contributions featuring novel carbon systems (excluding nanotubes). The chapters are authored by leading researchers who are all actively involved with different aspects of carbon structure and property elucidation. Consequently, a variety of methods are presented to the reader. The editors have successfully compiled an informative book that:•  Showcases the latest results in carbon materials •  Demonstrates how different theoretical methods are combined •  Explains how new carbon structures are predicted Computer-Based Modeling of Novel Carbon Systems and Their Properties is aimed at advanced undergraduates, graduates, and researchers with an interest in computational nanomaterials.

Fulleranes are a special class of carbon molecules derived from fullerenes whose double bonds are partially or at least theoretically fully saturated by hydrogen. The hydrogenation changes the chemical properties of fullerenes which can become susceptible to substitution reactions as opposed to addition reactions to the double bonds (present in common fullerenes). One of the most intriguing aspects of fulleranes is the fact that they have been thought to exist in the interstellar medium or even in certain circumstellar media. "Fulleranes: The Hydrogenated Fullerenes" presents the state of the art research, synthesis and properties of these molecules.This book also includes astrophysicists' and astrochemists' expectations regarding the presence of these molecules in space.

This book provides an interesting snapshot of new research within the fields of flexible and soft devices which use porous carbon-based materials. The increase in demand for soft and flexible electronics, electrochemical energy storage/conversion systems, piezoresistive pressure sensors has promoted the development of new strategies for the synthesis and integration of nanoporous carbon (NPC) into flexible and soft polymers and inorganic textures. The structural properties of such NPC materials combined with their mechanical, conductive and catalytic properties, show promising results for the technology they are designed for, which can be useful solutions in many other disciplines. An in-depth discussion of the use of NPC materials in different energy devices is provided in every chapter, while at the same time the knowledge of the reader on the various applications where these materials can be used will be broadened. This book sheds new light on nanoporous carbon-based materials and will be of great interest to graduate students and professionals working in this field.

This book provides an interesting snapshot of new research within the fields of flexible and soft devices which use porous carbon-based materials. The increase in demand for soft and flexible electronics, electrochemical energy storage/conversion systems, piezoresistive pressure sensors has promoted the development of new strategies for the synthesis and integration of nanoporous carbon (NPC) into flexible and soft polymers and inorganic textures. The structural properties of such NPC materials combined with their mechanical, conductive and catalytic properties, show promising results for the technology they are designed for, which can be useful solutions in many other disciplines. An in-depth discussion of the use of NPC materials in different energy devices is provided in every chapter, while at the same time the knowledge of the reader on the various applications where these materials can be used will be broadened. This book sheds new light on nanoporous carbon-based materials and will be of great interest to graduate students and professionals working in this field.

This book provides a comprehensive overview of the synthesis, properties, and multifunctional applications of g-C₃N₄, with a strong emphasis on its role in solving critical global challenges. As the world faces escalating challenges related to energy scarcity and environmental pollution, the demand for sustainable solutions has never been greater. Over the past four decades, global energy consumption has risen by an average of 2.2% per year, and by 2050, it is projected to increase by an additional 30%. Currently, fossil fuels such as coal, crude oil, and natural gas account for nearly 90% of the world’s energy supply, underscoring the urgent need for renewable and eco-friendly alternatives.Among the most promising solutions is solar energy, an abundant, renewable, and sustainable resource. Photocatalysis, which harnesses solar energy for chemical transformations, has emerged as a key technology for addressing environmental and energy-related challenges. Central to this process are photocatalysts, materials that drive essential reactions such as water splitting, pollutant degradation, and CO₂ reduction.In recent years, graphitic carbon nitride (g-C₃N₄) has garnered significant attention as a metal-free semiconductor with remarkable photocatalytic properties. Its ease of synthesis, chemical stability, and tunable electronic structure make it highly effective in a wide range of applications, including energy conversion, environmental remediation, and biomedical technologies. Beyond photocatalysis, g-C₃N₄ has shown promise in supercapacitors, batteries, electrocatalysis, and emerging biomedical applications such as biosensors, bioimaging, drug delivery, and antimicrobial treatments.Covering photocatalysis, electrochemical energy storage, solar cells, and biomedical advancements, this book offers researchers, engineers, and industry professionals an in-depth understanding of the latest developments and future directions in this rapidly evolving field.With its interdisciplinary approach and practical focus, this book serves as a valuable resource for scientists working on materials science, nanotechnology, renewable energy, and environmental sustainability. By exploring both fundamental principles and cutting-edge applications, it aims to inspire new research pathways and innovative solutions for a cleaner and more sustainable future.

This contributed volume is inspired by the seminal discovery and identification of C60. Starting with a comprehensive discussion featuring graphene based nanostructures, subsequent chapters include topological descriptions of matrices, polynomials and indices, and an extended analysis of the symmetry and topology of nanostructures. Carbon allotropes such as diamond and its connection to higher-dimensional spaces is explored along with important mathematical and topological considerations. Further topics covered include spontaneous symmetry breaking in graphene, polyhedral carbon structures, nanotube junction energetics, and cyclic polyines as relatives of nanotubes and fullerenes. This book is aimed at researchers active in the study of carbon materials science and technology.

This volume presents new methodologies and rationalizes existing methods that are used in the design of multi-shell polyhedral clusters. The author describes how the methods used are extended from 2D-operations on maps to 3D (and higher dimensional) Euclidean space. A variety of structures is designed and described in detail and classified giving rise to an atlas of multi-shell nanostructures. The book therefore sheds a new light on the field of crystal and quasicrystal structures, an important part of nanoscience and nanotechnology. The author goes on to show how the recently established methods are used for building complex multi-shell nanostructures and how this completes the existing information in the field. The atlas of such structures is completed with atomic coordinates (included as supplementary material). The content of this book gives a useful insight into structure elucidation and suggests new material synthesis.

Fullerenes and nanotubes are two classes of carbon structures or allotropes, which were discovered about 17 years ago. Since that time, many chemical derivatives have been synthesized using fullerenes and nanotubes as building blocks.Particularly promising was the theory that the chemical properties of fullerenes, and certain derivatives, made them likely candidates for anticancer drugs, inhibitors of viruses such as HIV, or even as anti-bacterials. Their cyctotoxicity can also be controlled by specific circumstances.In addition, the funtionalization of nanotubes has not only produced relatively simple derivatives, but also complex hybrids with biological macromolecules, which show unique supramolecular architecture and which are promising in many medical applications.The application of fullerenes and nanotubes in medicine is at the frontier of our knowledge, thus the work in this field represents the basis for future novel developments.

The Mathematics and Topology of Fullerenes presents a comprehensive overview of scientific and technical innovations in theoretical and experimental studies. Topics included in this multi-author volume are: Clar structures for conjugated nanostructures; counting polynomials of fullerenes; topological indices of fullerenes; the wiener index of nanotubes; toroidal fullerenes and nanostars; C60 Structural relatives: a topological study; local combinatorial characterization of fullerenes; computation of selected topological indices of C60 and C80 Fullerenes via the Gap Program; 4valent- analogues of fullerenes; a detailed atlas of Kekule structures of C60. The Mathematics and Topology of Fullerenes is targeted at advanced graduates and researchers working in carbon materials, chemistry and physics.

"Carbon Bonding and Structures: Advances in Physics and Chemistry" features detailed reviews which describe the latest advances in the modeling and characterization of fundamental carbon based materials and recently designed carbon composites. Significant advances are reported and reviewed by globally recognized experts in the field. The quantification, indexing, and interpretation of physical and chemical patterns of carbon atoms in molecules, crystals, and nanosystems is presented. "Carbon Bonding and Structures: Advances in Physics and Chemistry" will be primarily of interest to theoretical physical chemists and computational materials scientists based in academia, government laboratories, and industry.

Fulleranes are a special class of carbon molecules derived from fullerenes whose double bonds are partially or at least theoretically fully saturated by hydrogen. The hydrogenation changes the chemical properties of fullerenes which can become susceptible to substitution reactions as opposed to addition reactions to the double bonds (present in common fullerenes). One of the most intriguing aspects of fulleranes is the fact that they have been thought to exist in the interstellar medium or even in certain circumstellar media. "Fulleranes: The Hydrogenated Fullerenes" presents the state of the art research, synthesis and properties of these molecules.This book also includes astrophysicists' and astrochemists' expectations regarding the presence of these molecules in space.

During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is needed to make significant progress in the carbon field.This volume provides the reader with a survey of state-of-the-art theoretical and computational contributions featuring novel carbon systems (excluding nanotubes). The chapters are authored by leading researchers who are all actively involved with different aspects of carbon structure and property elucidation. Consequently, a variety of methods are presented to the reader. The editors have successfully compiled an informative book that:•  Showcases the latest results in carbon materials •  Demonstrates how different theoretical methods are combined •  Explains how new carbon structures are predicted Computer-Based Modeling of Novel Carbon Systems and Their Properties is aimed at advanced undergraduates, graduates, and researchers with an interest in computational nanomaterials.

The Mathematics and Topology of Fullerenes presents a comprehensive overview of scientific and technical innovations in theoretical and experimental studies. Topics included in this multi-author volume are: Clar structures for conjugated nanostructures; counting polynomials of fullerenes; topological indices of fullerenes; the wiener index of nanotubes; toroidal fullerenes and nanostars; C60 Structural relatives: a topological study; local combinatorial characterization of fullerenes; computation of selected topological indices of C60 and C80 Fullerenes via the Gap Program; 4valent- analogues of fullerenes; a detailed atlas of Kekule structures of C60. The Mathematics and Topology of Fullerenes is targeted at advanced graduates and researchers working in carbon materials, chemistry and physics.

"Carbon Bonding and Structures: Advances in Physics and Chemistry" features detailed reviews which describe the latest advances in the modeling and characterization of fundamental carbon based materials and recently designed carbon composites. Significant advances are reported and reviewed by globally recognized experts in the field. The quantification, indexing, and interpretation of physical and chemical patterns of carbon atoms in molecules, crystals, and nanosystems is presented. "Carbon Bonding and Structures: Advances in Physics and Chemistry" will be primarily of interest to theoretical physical chemists and computational materials scientists based in academia, government laboratories, and industry.

Over the past twenty years, the field of carbon structures has been invigorated by the discovery of fullerenes and carbon nanotubes. These nano-structured carbons have attracted a tremendous interest in the fundamental properties of discrete carbon molecules, leading to the discovery of novel complex crystalline and quasi-crystalline materials. As a consequence, a variety of applications have been developed, including technical and bio-medical materials and miniaturized tools.Diamond and Related Nanostructures focuses on the advances in the area of diamond-like carbon nanostructures (hyper-structures built from fullerenes and/or carbon nanotube junctions) and other related carbon nanostructures. Each chapter contributes to the topic from different fields, ranging from theory to synthesis and properties investigation of these new materials. This volume brings together the major findings in the field and provides a source of inspiration and understanding to advanced undergraduates, graduates, and researchers in the fields of Physics, Graph Theory, Crystallography, Computational and Synthetic Chemistry.

Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time.Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles. More specifically, the book focuses on: - Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces;­ Pariser-Parr-Pople model hamiltonian approach to graphene studies;- Topochemistry and Toporeactcivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme;- Novel class of crystal networks arising from spanning fullerenes; - Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants; - Enumeration hetero-fullerenes by Polya theory.Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.

Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time.Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles. More specifically, the book focuses on: - Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces;­ Pariser-Parr-Pople model hamiltonian approach to graphene studies;- Topochemistry and Toporeactcivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme;- Novel class of crystal networks arising from spanning fullerenes; - Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants; - Enumeration hetero-fullerenes by Polya theory.Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.

Over the past twenty years, the field of carbon structures has been invigorated by the discovery of fullerenes and carbon nanotubes. These nano-structured carbons have attracted a tremendous interest in the fundamental properties of discrete carbon molecules, leading to the discovery of novel complex crystalline and quasi-crystalline materials. As a consequence, a variety of applications have been developed, including technical and bio-medical materials and miniaturized tools.Diamond and Related Nanostructures focuses on the advances in the area of diamond-like carbon nanostructures (hyper-structures built from fullerenes and/or carbon nanotube junctions) and other related carbon nanostructures. Each chapter contributes to the topic from different fields, ranging from theory to synthesis and properties investigation of these new materials. This volume brings together the major findings in the field and provides a source of inspiration and understanding to advanced undergraduates, graduates, and researchers in the fields of Physics, Graph Theory, Crystallography, Computational and Synthetic Chemistry.