Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings.

Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings.
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四元环石墨烯纳米带中的赝原子轨道行为。

DOI:
10.1126/sciadv.abl5892
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发表时间:
2021-12-24
期刊:
影响因子:
13.6
通讯作者:
Crommie MF
Crommie MF
中科院分区:
综合性期刊1区
文献类型:
--
作者:
Jacobse PH;Jin Z;Jiang J;Peurifoy S;Yue Z;Wang Z;Rizzo DJ;Louie SG;Nuckolls C;Crommie MF

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合成了一种具有四元环的纳米带,并发现其行为类似于原子轨道的全息图。在石墨烯纳米带(gnr)中加入非六边形环是设计局域电子态、带隙和磁性能的有效策略。在这里,我们展示了成功合成具有四元环(环丁二烯)键的纳米带,采用表面合成方法,包括直接接触转移冠状前体,然后热辅助[2 + 2]环加成。所得到的冕-环丁二烯纳米带具有狭窄的600 mev带隙和新颖的电子前沿态,可以解释为有效的px和py伪原子轨道的线性链。我们表明,这些状态产生了特殊的物理性质,如刚性间接能隙。这为通过修饰前体分子来构建窄间隙gnr提供了一种以前未被探索的策略,其功能是调节相邻四元环态之间的耦合。
A type of nanoribbon with four-membered rings was synthesized and was found to behave like a hologram of atomic orbitals. The incorporation of nonhexagonal rings into graphene nanoribbons (GNRs) is an effective strategy for engineering localized electronic states, bandgaps, and magnetic properties. Here, we demonstrate the successful synthesis of nanoribbons having four-membered ring (cyclobutadienoid) linkages by using an on-surface synthesis approach involving direct contact transfer of coronene-type precursors followed by thermally assisted [2 + 2] cycloaddition. The resulting coronene-cyclobutadienoid nanoribbons feature a narrow 600-meV bandgap and novel electronic frontier states that can be interpreted as linear chains of effective px and py pseudo-atomic orbitals. We show that these states give rise to exceptional physical properties, such as a rigid indirect energy gap. This provides a previously unexplored strategy for constructing narrow gap GNRs via modification of precursor molecules whose function is to modulate the coupling between adjacent four-membered ring states.
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