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Gd@Au15: A magic magnetic gold cluster for cancer therapy and bioimaging

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2 Author(s)
Yadav, Brahm Deo ; Dr. Vijay Kumar Foundation, 1969 Sector 4, Gurgaon, 122001 Haryana, India ; Kumar, Vijay

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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 μB could be beneficial for magnetic resonance imaging.

Published in:

Applied Physics Letters  (Volume:97 ,  Issue: 13 )

Date of Publication:

Sep 2010

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