Virtual Synthesis of Nanosystems by Design : From First Principles to Applications Hardback
This is the only book on a novel fundamental method that uses quantum many body theoretical approach to synthesis of nanomaterials by design.
This approach allows the first-principle prediction of transport properties of strongly spatially non-uniform systems, such as small QDs and molecules, where currently used DFT-based methods either fail, or have to use empirical parameters.
The book discusses modified algorithms that allow mimicking experimental synthesis of novel nanomaterials---to compare the results with the theoretical predictions--and provides already developed electronic templates of sub-nanoscale systems and molecules that can be used as components of larger materials/fluidic systems.
- Format: Hardback
- Pages: 382 pages
- Publisher: Elsevier Science Publishing Co Inc
- Publication Date: 17/02/2015
- Category: Chemistry
- ISBN: 9780123969842