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cond-mat1999★ 317 cited
First principles study of Li intercalated carbon nanotube ropes
Jijun Zhao, Alper Buldum, Jie Han +1
We studied Li intercalated carbon nanotube ropes by using first principles methods. Our results show charge transfer between Li and C and small structural deformation of nanotube d…
cond-mat1999★ 20 cited
The structural and electronic properties of germanium clathrates
Jijun Zhao, Alper Buldum, Jianping Lu +1
The structural and electronic properties of germanium clathrates Ge and KGe are studied by first principles calculations within the local density approximation. T…