This book covers edge-point applications in science and engineering. The chapters discuss the functional properties of advanced engineering materials and biomolecules, improving the comprehension of their chemical physical properties and potential for new technological and medicinal applications. The book presents a small number of experimental techniques and computational simulation models from basic concepts of classical/quantum mechanics, physics, chemistry, biology, statistical methods that can predict important applications and properties of these materials/biomolecules. The content shows how improving design of new systems helps in addressing future world problems (health, energy, food, environment, transportation, housing, clothing, etc.), i.e., almost every aspects of our daily lives.

Requires advanced functional materials and biomolecules with special physical, chemical Accelerates the development of innovative, tailored materials/biomolecules Enables edge-point applications in science and engineering

Autorentext

Sergio Ricardo de Lazaro received his undergraduate degree in Chemistry 1999 and his Ph.D. in Chemistry in 2006 from the Federal University of São Carlos (UFSCar) in Sao Paulo, Brazil. Since 2007 he is an adjunct professor of chemistry and materials science at the State University of Ponta Grossa (UFPG). His research interests are in the field of computational chemistry, quantum chemistry, surface, morphology, magnetic oxides, ferroelectric, dielectric, superconductors, density functional theory (DFT) and applications of novel advanced materials from a combination of experimental and theoretical approaches.

Prof. Dr Carlton Anthony Taft earned the Master of Science (Physics) in 1969 at the University of Illinois (USA), and the Ph.D. in Physics at the Centro Brasileiro de Pesquisas Físicas (CBPF) in 1975. He was hired at CBPF in 1976 and worked his way up through the decades from assistant, associate to full professor. He works in multidisciplinaryareas with focus on theoretical-computational simulation physical/chemical/biological/engineering applications in molecular and material sciences.

Inhalt

1. Combining theory and experiment in developing new advanced materials.- 2. SrSnO3 applied in the reduction of NO by CO: influence of transition metal doping on the catalytic activity.- 3. Advances in the Synthesis and Applications of Self-Activated Luminescent Nano- and Micro Hydroxyapatite.- 4. Illustrations in Theory and Computation in Photo-electro-chemical Catalysis.- 5. Theoretical investigation of the molybdates (AMoO4) and tungstates (AWO4) families morphology dependent properties.