Can armchair nanotubes host organic color centers?
Can armchair nanotubes host organic color centers?
复制标题
扶手椅纳米管可以容纳有机色心吗?
DOI:
10.1088/1361-648x/ac8f7e
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发表时间:
2022
期刊:
影响因子:
--
通讯作者:
Clark, Charles W
中科院分区:
文献类型:
--
作者:
Eller, Benjamin;Fortner, Jacob;Kłos, Jacek;Wang, YuHuang;Clark, Charles W
We use time-dependent density functional theory to investigate the possibility of hosting organic color centers in (6, 6) armchair single-walled carbon nanotubes, which are known to be metallic. Our calculations show that in short segments of (6, 6) nanotubes
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