Au(110)表面石墨烯纳米带生长过程中的电子结构演化
材料科学
2017-04-24 v1
摘要
分子单体的表面辅助聚合成扩展链可用作石墨烯纳米带（GNR）形成的种子，该形成源于后续的环脱氢过程。通过价带光发射和第一性原理密度泛函理论（DFT）计算，我们研究了在Au(110)表面驱动下，分子态从单体10,10'-二溴-9,9'联蒽（DBBA）前驱体到聚蒽基聚合物，最终到GNRs的演化。对室温沉积的DBBA前驱体，深入研究了金属-有机界面处的分子轨道和能级排列。在此基础上，我们能在加热获得的DBBA单层和聚合链中识别出C-Au相互作用的光谱指纹。此外，DFT计算帮助我们证明，由于其更平坦的构象，GNRs与Au(110)基底的相互作用比DBBA和聚蒽基更强。
引用
@article{arxiv.1704.06373,
title = {Electronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110)},
author = {Ada Della Pia and Giulia Avvisati and Oualid Ourdjini and Claudia Cardoso and Daniele Varsano and Deborah Prezzi and Andrea Ferretti and Carlo Mariani and Maria Grazia Betti},
journal= {arXiv preprint arXiv:1704.06373},
year = {2017}
}
备注
This document is the Accepted Manuscript version of a Published Work that appeared in final form in J. Phys. Chem C after peer review and technical editing by the publisher. To access the final edited and published work see: http://pubsdc3.acs.org/articlesonrequest/AOR-IB49uBxIS3X6JdF3ieQ9