Details

Autor(en) / Beteiligte

• Ryan, Margaret A.
• Shevade, Abhijit V.
• Potyrailo, Radislav A.
• Mirsky, Vladimir M.

Titel

Computational Approaches to Design and Evaluation of Chemical Sensing Materials

Ist Teil von

• Combinatorial Methods for Chemical and Biological Sensors, p.471-479

Ort / Verlag

New York, NY: Springer New York

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Materials for use as chemical sensors may be evaluated and selected with computational and experimental approaches. Computational methods have focused on developing fundamental electronic and atomic level descriptions of materials to insight into chemical interactions between targeted analytes and sensing materials. Computational methods also include use of statistical and computational approaches to characterize measured and experimentally observed analyte-sensing material interactions and sensing material responses to the presence of analyte. In the following chapter, we have provided an overview of various approaches that have been used to investigate and select chemical sensing materials.