Effects of bimetallic doping on small cyclic and tubular boron clusters: B7M2and B14M2structures with M = Fe, Co
2015 ◽
Vol 17
(26)
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pp. 17335-17345
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Keyword(s):
Using density functional theory with the TPSSh functional and the 6-311+G(d) basis set, we extensively searched for the global minima of two metallic atoms doped boron clusters B6M2, B7M2, B12M2and B14M2with transition metal element M being Co and Fe.
2005 ◽
Vol 123
(7)
◽
pp. 074102
◽
2009 ◽
Vol 113
(36)
◽
pp. 9843-9851
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2019 ◽
2019 ◽
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