Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395107 | Computational and Theoretical Chemistry | 2011 | 8 Pages |
Abstract
⺠The border states exist in Nz-ZAlNNR-C(n). ⺠Only Nz-ZAlNNR-C(1) has a direct band gap, the others have the indirect band gaps. ⺠Band gaps of Nz-ZAlNNR-C(1) and Nz-ZAlNNR-C(2) are 0.132 and 1 eV, respectively. ⺠Band gap of Nz-ZAlNNR-C(n) (n = Nz) decreases linearly with increasing Nz. ⺠Band gap of Nz-ZAlNNR-C(n) (Nz > 2) decreases with increasing n.
Related Topics
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Physical and Theoretical Chemistry
Authors
Yao-Yao Qi, Yan Zhang, Jian-Min Zhang, Vincent Ji, Ke-Wei Xu,