This book is based on my PhD thesis where I explored the electronic
structure calculation of semiconductor quantum dots.All the
calculations are based on density functional theory based ab-initio
method.The optical properties of Silicon cluster and Quantum
Confinement Effect were studied.Also the adsorption of Silicon
clusters on metallic (Au/Ag) and insulating(MgO)surface were
investigated in order to understand the charge transfer process
between adsorbates and surfaces.This can be leading towards
catalytic behavior as well studying the gas phase clusters on
different surfaces.Also by exploring the nature of optical spectra
of Silicon cluster one can understand the optical response of Nano
cluster and this may lead to creation of Nano crystalline Silicon
Solar Cell.The extensive study of electronic structure optimization
of different nano cluster in different size regime had been done by
keeping in mind the gloabal minimum structures.For all the
calculations VASP, CPMD and PARSEC were used as computing code
along with several fortran codes as the post processing program.
The readers will be beneficial in terms of getting a profound
knowledge in electronic structure calculations
General
Imprint: |
Lap Lambert Academic Publishing
|
Country of origin: |
Germany |
Release date: |
2012 |
First published: |
2012 |
Authors: |
Sudip, Chakraborty
• S.V. Ghaisas
|
Dimensions: |
229 x 152 x 10mm (L x W x T) |
Format: |
Paperback - Trade
|
Pages: |
176 |
ISBN-13: |
978-3-8473-0600-9 |
Categories: |
Books >
Science & Mathematics >
Physics >
General
|
LSN: |
3-8473-0600-6 |
Barcode: |
9783847306009 |
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