Understanding Molecular Recognition on Metallic and Oxidic Nanostructures from a Perspective of Computer Simulation and Theory

  • Hendrik Heinz


In this chapter, surface properties of various solids at the nanometer scale and governing principles of the selective adsorption of molecules, surfactants, and biopolymers are reviewed and illustrated by examples. Clear distinctions emerge between elemental noble metal surfaces, polar pH-responsive surfaces, and ionic surfaces. Whereas the former are much simpler chemically and exhibit very attractive surfaces, many polar surfaces are prone to protonation/deprotonation equilibria and surface reactivity. These differences affect available options to control the assembly of surfactants, polymers, and biomacromolecules and grow nanomaterials from available precursors. Interestingly, we often encounter a wide variety of chemically different surfaces that originate from the “same” principal material. Our aim is to explain from the perspective of accurate atomistic models, simulation, and available results from experimentation the control mechanisms for selective binding to these different materials classes as far as they are known, as well as emerging concepts that play a role and warrant future investigation in detail.


Packing Density Silica Surface Layered Silicate Calcium Silicate Hydrate Hydration Reaction 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  1. 1.Department of Polymer EngineeringUniversity of AkronAkronUSA

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