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Shaping the future of nanocrystals
Date:8/22/2014

initio calculations carried out under the leadership of co-author Wang, a senior scientist with the Materials Sciences Division who heads the Computational Material Science and Nano Science group.

"At first, we thought the continued growth in the {111} direction might be a result of higher surface energy on the {111} plane," says co-author Zherebetskyy, a member of Wang's group. "The experimental observations forced us to consider alternative mechanisms and our calculations show that the relatively low energy barrier on the {111} plane allow the ligand molecules on that plane to be very mobile."

Says Wang, "Our collaboration with Haimei Zheng's group showcases how ab initio calculations can be combined with experimental observations to shed new light on hidden molecular processes."

Zheng and her group are now in the process of determining whether the ligand mobility in platinum that shaped the formation of cube-shaped nanocrystals also applies to ligands in other nanomaterials and the formation of nanocrystals in other geometric shapes.

This research was supported by the DOE Office of Science.


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Contact: Lynn Yarris
lcyarris@lbl.gov
510-486-5375
DOE/Lawrence Berkeley National Laboratory
Source:Eurekalert  

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