在石墨烯纳米带中进行轨道匹配边缘补充
Rebecca A Durr1, Danny Haberer1, Yea-Lee Lee2,3
1Department of Chemistry, University of California Berkeley , Berkeley, California 94720, United States.
Journal of the American Chemical Society
|December 16, 2017
概括
用N,O和S原子合石墨烯纳米带 (cGNRs) 显著减少了它们的带隙. 这种方法为电子应用的石墨烯纳米结构提供了可调的方法.
科学领域:
- 材料科学
- 凝聚物质物理学
- 纳米技术
背景情况:
- 石墨烯纳米带 (GNR) 具有独特的电子特性.
- 雪佛龙GNR (cGNR) 为电子应用提供了特定的结构图案.
- 频段间隙工程对于为先进的电子设备定制GNR至关重要.
研究的目的:
- 研究三角平面N,O和S-dopant原子对cGNR电子特性的影响.
- 在石墨烯纳米结构中探索带隙工程的可调节方法.
- 了解 dopants 和 cGNR 骨干之间的电荷传输机制.
主要方法:
- 谢弗龙石墨烯纳米带 (cGNR) 的自下而上的合成.
- 纳入 (N),氧 (O) 和硫 (S) 的辅助原子.
- 扫描探针光谱 (SPS) 用于电子表征.
- 密度函数理论 (DFT) 计算用于理论分析.
主要成果:
- 三角平面剂显著降低了每种剂高达0. 3 eV的cGNR频段间隙.
- 电荷转移主要由感应效应主导, 随着电子阴性趋势.
- 多邦单对轨道重叠扩展了cGNRs的π系统结合.
结论:
- 异原子兴奋剂为cGNR带隙工程提供了有效的策略.
- 观察到的变化可以调整特定应用的电子特性.
- 这项工作为设计基于石墨烯的电子材料提供了一种多功能方法.
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