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© Centre for Modeling & Simulation, Savitribai Phule Pune University
| Title | Gd@Au15: A Magic Magnetic Gold Cluster for Cancer Therapy and Bioimaging |
| Author/s |
Brahm Deo Yadav
Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411 007 India Vijay Kumar Dr. Vijay Kumar Foundation, 1969 Sector 4, Gurgaon, 122001 Haryana, India |
| Abstract | We report from ab initio calculations a magic magnetic cage cluster of gold, Gd@Au15, obtained by doping of a Gd atom in gold clusters. It has a highest occupied molecular orbital-lowest unoccupied molecular orbital gap of 1.31 eV within the generalized gradient approximation that makes it a potential candidate for cancer therapy with an additional attractive feature that its large magnetic moment of 7 B could be beneficial for magnetic resonance imaging. |
| Keywords | |
| Download | [359K pdf] |
| Citing This Document | Brahm Deo Yadav, and Vijay Kumar , Gd@Au15: A Magic Magnetic Gold Cluster for Cancer Therapy and Bioimaging . Technical Report CMS-TR-20100929 of the Centre for Modeling and Simulation, Savitribai Phule Pune University, Pune 411007, India (2010); available at http://cms.unipune.ac.in/reports/. |
| Notes, Published Reference, Etc. | Published as Applied Physics Letters 97, 133701 (2010) |
| Contact | kumar AT vkf.in |
| Supplementary Material |