| About this Abstract |
| Meeting |
2010 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Controlling Diffusion in Semiconductor Nanostructures by Size and Dimensionality |
| Author(s) |
James Chelikowsky |
| On-Site Speaker (Planned) |
James Chelikowsky |
| Abstract Scope |
The ability to control the diffusion of dopants or impurities is a controlling factor in the functionalization of materials used in devices both at the macro- and nano-scales. At the nanoscale, manipulating diffusion of dopants is complicated by a number of factors such as the role of quantum confinement and the large surface to volume ratio. Here I will examine Li in Si nanowires as atoms with low atomic mass such as Li can be used as a carrier for energy storage with high specific energy capacity. Specifically, Li-ion batteries with specific energy capacity as high as 4200 mAh/g using Si nanowires as anodes have been achieved. Using ab initio calculations, we determine how the factors of size and dimensionality can be used achieve an optimal diffusion of Li atoms in Si nanowires. |
| Proceedings Inclusion? |
Definite: A CD-only volume |