Revealing the Local Electronic Structure of a Single-Layer Covalent Organic Framework through Electronic Decoupling.,Nano Letters

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Revealing the Local Electronic Structure of a Single-Layer Covalent Organic Framework through Electronic Decoupling.
Nano Letters ( IF 9.6 ) Pub Date : 2020-01-07 , DOI: 10.1021/acs.nanolett.9b03998
Daniel J Rizzo ₁ , Qingqing Dai _{2,

3} , Christopher Bronner ₁ , Gregory Veber ₄ , Brian J Smith ₅ , Michio Matsumoto _{6,

7} , Simil Thomas _{2,

3} , Giang D Nguyen ₁ , Patrick R Forrester ₁ , William Zhao ₁ , Jakob H Jørgensen ₈ , William R Dichtel ₆ , Felix R Fischer _{4,

9,

10} , Hong Li _{2,

3} , Jean-Luc Bredas _{2,

3} , Michael F Crommie _{1,

9,

10}

Affiliation

Department of Physics , University of California at Berkeley , Berkeley , California 94720 , United States.
Laboratory for Computational and Theoretical Chemistry of Advanced Materials, Physical Science and Engineering Division , King Abdullah University of Science and Technology , Thuwal 23955-6900 , Kingdom of Saudi Arabia.
School of Chemistry and Biochemistry & Center for Organic Photonics and Electronics , Georgia Institute of Technology , 901 Atlantic Drive NW , Atlanta , Georgia 30332-0400 , United States.
Department of Chemistry , University of California at Berkeley , Berkeley , California 94720 , United States.
Department of Chemistry , Bucknell University , Lewisburg , Pennsylvania 17837 , United States.
Department of Chemistry , Northwestern University , Evanston , Illinois 60208 , United States.
WPI Research Center for Materials Nanoarchitectonics (MANA) , National Institute for Materials Science (NIMS) , 1-1 Namiki, Tsukuba , Ibaraki 305-0044 , Japan.
Department of Physics and Astronomy and Interdisciplinary Nanoscience Center iNANO , Aarhus University , Aarhus C DK-8000 , Denmark.
Materials Sciences Division , Lawrence Berkeley National Laboratory , Berkeley , California 94720 , United States.
Kavli Energy NanoSciences Institute at the University of California Berkeley and the Lawrence Berkeley National Laboratory , Berkeley , California 94720 , United States.

Covalent organic frameworks (COFs) are molecule-based 2D and 3D materials that possess a wide range of mechanical and electronic properties. We have performed a joint experimental and theoretical study of the electronic structure of boroxine-linked COFs grown under ultrahigh vacuum conditions and characterized using scanning tunneling spectroscopy on Au(111) and hBN/Cu(111) substrates. Our results show that a single hBN layer electronically decouples the COF from the metallic substrate, thus suppressing substrate-induced broadening and revealing new features in the COF electronic local density of states (LDOS). The resulting sharpening of LDOS features allows us to experimentally determine the COF band gap, bandwidths, and the electronic hopping amplitude between adjacent COF bridge sites. These experimental parameters are consistent with the results of first-principles theoretical predictions.

中文翻译：

通过电子去耦揭示单层共价有机框架的局部电子结构。

共价有机骨架（COF）是基于分子的2D和3D材料，具有广泛的机械和电子特性。我们已经对在超高真空条件下生长并使用扫描隧道光谱在Au（111）和hBN / Cu（111）衬底上进行表征的环硼氧烷连接的COF的电子结构进行了联合实验和理论研究。我们的研究结果表明，单个hBN层可将COF与金属基底电分离，从而抑制基底诱导的展宽，并揭示COF电子局部态密度（LDOS）的新特征。LDOS功能的锐化效果使我们能够实验确定相邻COF桥位之间的COF带隙，带宽和电子跳变幅度。

更新日期：2020-01-16

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