Loading...
Please wait, while we are loading the content...
Similar Documents
Polarisation charge switching through the motion of metal atoms trapped in fullerene cages.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Raggi, Gerardo Stace, Anthony J. Bichoutskaia, Elena |
| Copyright Year | 2014 |
| Abstract | The formation of an endohedral fullerene can lead to charge transfer and the generation of a trapped positively charged metal ion. Using Ca@C60 and [Ca@C60](+) endohedral fullerenes as models, density functional theory calculations predict that the motion of a calcium ion within a fullerene is accompanied by large changes in electron density on the surrounding carbon cage. In the case of [Ca@C60](+), partial atomic charge distribution on the carbon cage is split between hemispheres into regions of positive and negative charge as Ca(n+) moves inside the fullerene cage (non-integer n strongly depends on position of the ion). It is proposed that within tethered fullerene cages the movement of partial atomic charge could form the bases of a molecular polarisation storage bit, and that adopted in the form of [Ca@C60](+) the presence of an overall charge may offer a route to either optical or electronic control. |
| Starting Page | 989 |
| Ending Page | 990 |
| Page Count | 2 |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://ebesley.chem.nottingham.ac.uk/publications/pdf/PCCP_2014_Oct20.pdf |
| PubMed reference number | 25272966v1 |
| Alternate Webpage(s) | https://doi.org/10.1039/c4cp02672a |
| DOI | 10.1039/c4cp02672a |
| Journal | Physical chemistry chemical physics : PCCP |
| Volume Number | 16 |
| Issue Number | 43 |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Base Calcium ion Charge (electrical) Entity Name Part Qualifier - adopted Fluorine Fullerenes Integer (number) Ions electron density recycling endosome |
| Content Type | Text |
| Resource Type | Article |
