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Doped C60Study from First Principles Simulation

โœ Scribed by Shizhong Yang; Shengmin Guo; Shuju Bai; Ebrahim Khosravi; Guang-Lin Zhao; Diola Bagayoko


Publisher
Springer
Year
2010
Tongue
English
Weight
336 KB
Volume
23
Category
Article
ISSN
0896-1107

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Using density functional theory we calculate the formation energies for B and P doped Si and Ge nanowires which are oriented in the [1 1 0] direction. First the preferential position for the dopants is calculated in fully passivated nanowires. It is found that the dopants prefer the edge or near edg