Harnessing Nanoscale Surface Interactions: Contemporary Synthesis, Applications and Theory provides coverage of contemporary theoretical and experimental approaches to understanding the interactions of molecules with nanomaterial surfaces and how to utilize these processes for improved synthesis and application of materials. The book reviews recently developed theoretical techniques to explore bonding interactions in nanoclusters and small molecules, along with modern molecular dynamics approaches for investigation adsorption of large molecules on nanomaterials. Novel experimental approaches are described that provide improved control of the synthesis of metal nanoparticles and measurement of their absorption properties.
The potential for nanomaterials to address a range of environmental problems is also demonstrated by a selection of specific applications. Chapters discuss experimental synthesis approaches, experimental analysis and applications, and theoretical approaches for harnessing nanoscale surface interactions.
- Includes exploration of the latest theoretical techniques, including regional density functional theory and molecular dynamics simulations
- Addresses nanoscale interfaces and how they relate to the toxicity of nanomaterials, crucial for potential diagnosis and medical applications
Part 2: Analysis and Application of Nanoscale Surface Interactions 4. Electrochemical measurements to evaluate adsorption capacity on nanomaterials 5. Selective removal of heavy metals using functionalized nanomaterials 6. Nano-manufacturing, nano-assembly, and nano-manipulation 7. Adsorption and Reactivity at Anisotropic Nanoparticle Surfaces
Part 3: Theoretical Investigations of Nanoscale Interactions 8. Contemporary analysis of the Influence of Adsorbents on the Structure, Stability and Reactivity of Main Group Nanoparticles using Regional Density Functional Theory 9. Carbon nanotube arrays for adsorption and separation
Insights from Molecular Dynamics Simulations 10. Investigating Nanomaterial-bio Interfaces using Molecular Dynamics Procedures