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Computational design of spatially confined triatomic catalysts for nitrogen reduction reaction
The electrocatalytic process of nitrogen reduction reactions (NRR) offers a promising approach towards achieving sustainable ammonia production, acting as an environmentally friendly replacement for the conventional Haber-Bosch method. Density functional theory calculations have been utilized to design and investigate a set of catalysts known as triple-atom catalysts (TACs) for electrochemical NRR, which are supported on graphite-C3N3 nanosheets. Herein, we have systematically evaluated these TACs using stringent screening to assess their catalytic performance. Among the candidates, supported Pt3, Re3, and Ru3 trimers emerged as highly active with decent selectivity, involving a limiting pot...
Graphene Oxide: Physics and Applications
This book gives a comprehensive overview of graphene oxides (GO) from atomic structures and fundamental properties to technological applications. Atomic structural models, electronic properties, mechanical properties, optical properties, and functionalizing and compositing of GO are illustrated. Moreover, the excellent physical and chemical properties offer GO promising applications in electronic nanodevices, chemical sensors and catalyst, energy storage, and biotechnology, which are also presented in this book. Therefore, this book is of interest to researchers in physics, chemistry, materials science, and nanoscience.
MXenes: Fundamentals and Applications
This is the very first book on the highly promising topic of MXenes; focusing on their fundamental characteristics and properties, fabrication techniques and applications. MXenes are two-dimensional materials consisting of few atoms thick layers of transition metal carbides or nitrides. These are characterized by high electrical conductivity, good hydrophilicity, chemical stability, and ultrathin 2D sheet-like morphology. Applications in the energy, environmental, biomedical and electronic industries include catalysis, membrane separation, supercapacitors, hybrid-ion capacitors, batteries, flexible electronics, hydrogen storage, nanoelectronics, and sensors.
Decision Modeling and Behavior in Complex and Uncertain Environments
This text examines new research at the interface of operations research, behavioral and cognitive sciences, and decision analysis. From the cognitive behaviorist who collects empirical evidence as to how people make decisions to the engineer and economist who are the consumers of such understanding, the reader encounters the familiar Traveling Salesman Problem and Prisoner's dilemma, how agricultural decisions are made in Argentina's Pampas region, and some social goals that come into play as an element of rational decision-making. In these 14 self-contained chapters, broad topics covered include the integration of decision analysis and behavioral models, innovations in behavioral models, exploring descriptive behavior models, and experimental studies.
Computational Science - ICCS 2007
Part of a four-volume set, this book constitutes the refereed proceedings of the 7th International Conference on Computational Science, ICCS 2007, held in Beijing, China in May 2007. The papers cover a large volume of topics in computational science and related areas, from multiscale physics to wireless networks, and from graph theory to tools for program development.
Quaternary Glaciations - Extent and Chronology
The book presents an up-to-date, detailed overview of the Quaternary glaciations all over the world, not only with regard to stratigraphy but also with regard to major glacial landforms and the extent of the respective ice sheets. The locations of key sites are included. The information is presented in digital, uniformly prepared maps which can be used in a Geographical Information System (GIS) such as ArcView or ArcGIS. The accompanying text supplies the information on how the data were obtained (geomorphology, geological mapping, air photograph evaluation, satellite imagery), how the features were dated (14C, TL, relative stratigraphy) and how reliable they are supposed to be. All referenc...
Handbook of Carbon Nanotubes
This Handbook covers the fundamentals of carbon nanotubes (CNT), their composites with different polymeric materials (both natural and synthetic) and their potential advanced applications. Three different parts dedicated to each of these aspects are provided, with chapters written by worldwide experts in the field. It provides in-depth information about this material serving as a reference book for a broad range of scientists, industrial practitioners, graduate and undergraduate students, and other professionals in the fields of polymer science and engineering, materials science, surface science, bioengineering and chemical engineering. Part 1 comprises 22 chapters covering early stages of t...
Silicene
This book discusses the processing and properties of silicene, including the historical and theoretical background of silicene, theoretical predictions, the synthesis and experimental properties of silicene and the potential applications and further developments. It also presents other similar monolayer materials, like germanene and phosphorene. Silicene, a new silicon allotrope with a graphene-like, honeycomb structure, has recently attracted considerable interest, because its topology affords it the same remarkable electronic properties as those of graphene. Additionally, silicene may have the potential advantage of being easily integrated in current Si-based nano/micro-electronics, offering novel technological applications. Silicene was theoretically conjectured a few years ago as a stand-alone material. However, it does not exist in nature and had to be synthesized on a substrate. It has since been successfully synthesized and multi-layer silicene structures are already being discussed. Within just a few years, silicene is now on the brink of technological applications in electronic devices.
Geo-informatics in Sustainable Ecosystem and Society
This book constitutes the refereed proceedings of the 6th International Conference on Geo-informatics in Sustainable Ecosystem and Society, GSES 2018, held in Handan, China, in September 2018. The 46 papers presented in this volume were carefully reviewed and selected from 153 submissions and focus on spatial data acquisition, processing and management, modeling and analysis, and recent applications in the context of building healthier ecology and resource management using advanced remote sensing technology and spatial data modeling and analysis.
Application of Optimization Algorithms in Chemistry
This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.
