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Data from: Determining structural and chemical heterogeneities of surface species at the single-bond limit

Tan, Shijing, University of Science and Technology of China, https://orcid.org/0000-0002-8537-9528
Xu, Jiayu, University of Science and Technology of China, https://orcid.org/0000-0002-7160-1095
Zhu, Xiang, University of Science and Technology of China, https://orcid.org/0000-0001-6216-1879
Zhang, Yao, University of Science and Technology of China
Li, Bin, University of Science and Technology of China
Tian, Yunzhe, University of Science and Technology of China
Shan, Huan, University of Science and Technology of China
Cui, Xuefeng, University of Science and Technology of China
Zhao, Aidi, University of Science and Technology of China
Dong, Zhenchao, University of Science and Technology of China
Luo, Yi, University of Science and Technology of China
Yang, Jinlong, University of Science and Technology of China
Wang, Bing, University of Science and Technology of China
Hou, J.G., University of Science and Technology of China
tansj@ustc.edu.cn, xujy@mail.ustc.edu.cn, zhux234@mail.ustc.edu.cn, zhy2008@mail.ustc.edu.cn, libin@mail.ustc.edu.cn, yunzhe@mail.ustc.edu.cn, shanhuan@mail.ustc.edu.cn, xfcui@ustc.edu.cn, zhaoad@shanghaitech.edu.cn, zcdong@ustc.edu.cn, yiluo@ustc.edu.cn, jlyang@ustc.edu.cn, bwang@ustc.edu.cn, jghou@ustc.edu.cn
Published Feb 23, 2021 on Dryad. https://doi.org/10.5061/dryad.d51c5b02c

Cite this dataset

Tan, Shijing et al. (2021). Data from: Determining structural and chemical heterogeneities of surface species at the single-bond limit [Dataset]. Dryad. https://doi.org/10.5061/dryad.d51c5b02c

Abstract

The structure determination of surface species has long been a challenge because of their rich chemical heterogeneities. Modern tip-based microscopic techniques can resolve heterogeneities from their distinct electronic, geometric, and vibrational properties at the single-molecule level but with limited interpretation from each. Here, we combined scanning tunneling microscopy (STM), noncontact atomic force microscopy (AFM), and tip-enhanced Raman scattering (TERS) to characterize an assumed inactive system, pentacene on the Ag(110) surface. This enabled us to unambiguously correlate the structural and chemical heterogeneities of three pentacene-derivative species through specific carbon-hydrogen bond breaking. The joint STM-AFM-TERS strategy provides a comprehensive solution for determining chemical structures that are widely present in surface catalysis, on-surface synthesis, and twodimensional materials.

Funding

National Natural Science Foundation of China, Award: 21972129

Chinese Academy of Sciences, Award: XDB36000000

Ministry of Science and Technology of the People's Republic of China, Award: 2016YFA0200603

Anhui Initiative in Quantum Information Technologies, Award: AHY090000