Design and Applications of Nanomaterials for Sensors begins with an introductory contribution by the editors that: gives an overview of the present state of computational and theoretical methods for nanotechnology; outlines hot topics in this field; and points to expected developments in the near future. This general introduction is followed by review chapters by invited experts who have substantially contributed to the recent developments of nanomaterials for sensors.

Guided by molecular and quantum theories, this contributed volume gives a broad picture of the current and past advances that were necessary to develop nanosensors using nanomaterials. To illustrate the important and relevant applications of nanomaterials, Design and Applications of Nanomaterials for Sensors focuses on recent advances that extend the scope of possible applications of the theory, improve the accuracy with respect to experimentation, and reduce the cost of these calculations. This volume also features new applications of theoretical chemistry methods to problems of recent general interest in nanotechnology whereby large computational experiments are now necessary.

Autorentext
J. Seminario is Professor of Chemical Engineering, Professor of Electrical and Computer Engineering and Professor of Materials Science and Engineering; Also he is a Lannater and Herb Fox Professor (professorship) at Texas A&M University, USA and Honorary Professor at Universidad Nacional de Ingeniería, Lima-Perú.

Zusammenfassung

Design and Applications of Nano materials for Sensors begins with an introductory contribution by the editors that: gives an overview of the present state of computational and theoretical methods for nanotechnology; outlines hot topics in this field and points to expected developments in the near future. This general introduction is followed by 15-30 review chapters by invited experts who have substantially contributed to the recent developments of nano materials for sensors.

Guided by molecular and quantum theories, this contributed volume gives a broad picture of the current and past advances that were necessary to develop nano sensors using nano materials. To illustrate the important and relevant applications of nano materials, Design and Applications of Nano materials for Sensors focuses on recent advances that extend the scope of possible applications of the theory, improve the accuracy with respect to experimentation and reduce the cost of these calculations. This volumealso features new applications of theoretical chemistry methods to problems of recent general interest in nanotechnology whereby large computational experiments are now necessary.

Inhalt

A Quantum Chemistry Approach for the Design and Analysis of Nano sensors for Fissile Materials, Narendra Kumar and Jorge Seminario.- Distinct Diameter Dependences of Redox Property for Armchair, Zigzag Single-walled and Double-walled Carbon Nanotubes, Wenming Sun, Yuxiang Bu.- Design and Applications of Nanomaterial-based and Biomolecule-based Nanodevices and Nano sensors, Ke Xu, Mohsen Purahmed, Kimber Brenneman, Xenia Meshik, Sidra Farid, Shripriya Poduri, Preeti Pratap, Justin Abell, Yiping Zhao, Barbara Nichols, Eugene Zakar, Michael Stroscio and Mitra Dutta.- Gas Sensing and Thermal Transport Through Carbon-Nanotube-Based Nano devices, Y. Pouillon, A. P erez Paz, J. M aklin, N. Halonen, Y. Leroy, D. Mowbray, J.M. García Lastra, G. Tóth, K. Kordás, Z. Kónya, Á. Kukovecz and A. Rubio.- Challenges associated to the Multi-scale Modeling of Fuel Electro-oxidation for Fuel Cell Applications, King-Ki Fung, Purnima Kharidehal and Daniela S. Mainardi.-Molecular dynamics studies of graphite exfoliation using supercritical CO2, Jose L. Gomez-Ballesteros, Alejandro Callejas-Tovar, Luiz A. F. Coelho, and Perla B. Balbuena.- Functionalized Graphene and Cobalt Phthalocyanine based Materials with Potential Use for Electrical Conduction, Gloria I. Cárdenas-Jirón, Paola León-Plata, and Jorge M. Seminario.- Computational Nano chemistry Report of the Molecular Structure, Properties and Chemical Reactivity of Pheophorbide, A Daniel Glossman-Mitnik.- The Local Ionization Energy as a Guide to Site Reactivities on Graphenes, Jane S. Murray, Zenaida Peralta-Inga Shieldsand Peter Politzer.- Moiré Patterns observed in bi layer graphene irradiated with high energetic protons, D.H. Galvan, A. Posada Amarillas, S. Mejía, C. Wing and M. José-Yacamán.