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Journal of Nanomaterials
Volume 2018 (2018), Article ID 6863890, 9 pages
Research Article

Realization of N-Type Semiconducting of Phosphorene through Surface Metal Doping and Work Function Study

1Shandong Computer Science Center (National Supercomputer Center in Jinan) and Shandong Provincial Key Laboratory of Computer Networks, Qilu University of Technology (Shandong Academy of Sciences), Jinan, Shandong 250101, China
2Shengli No. 1 Middle School, Dongying, Shandong 257027, China
3College of Chemistry, Chemical Engineering and Materials Science, Collaborative Innovation Center of Functionalized Probes for Chemical Imaging in Universities of Shandong, Key Laboratory of Molecular and Nano Probes, Ministry of Education, Shandong Provincial Key Laboratory of Clean Production of Fine Chemicals, Shandong Normal University, Shandong 250014, China

Correspondence should be addressed to Yanmei Yang and Meng Guo

Received 16 October 2017; Accepted 11 December 2017; Published 30 January 2018

Academic Editor: Giuseppe Compagnini

Copyright © 2018 Haocheng Sun et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Phosphorene becomes an important member of the layered nanomaterials since its discovery for the fabrication of nanodevices. In the experiments, pristine phosphorene shows -type semiconducting with no exception. To reach its full capability, -type semiconducting is a necessity. Here, we report the electronic structure engineering of phosphorene by surface metal atom doping. Five metal elements, Cu, Ag, Au, Li, and Na, have been considered which could form stable adsorption on phosphorene. These elements show patterns in their electron configuration with one valence electron in their outermost -orbital. Among three group 11 elements, Cu can induce -type degenerate semiconducting, while Ag and Au can only introduce localized impurity states. The distinct ability of Cu, compared to Ag and Au, is mainly attributed to the electronegativity. Cu has smaller electronegativity and thus denotes its electron to phosphorene, upshifting the Fermi level towards conduction band, resulting in -type semiconducting. Ag and Au have larger electronegativity and hardly transfer electrons to phosphorene. Parallel studies of Li and Na doping support these findings. In addition, Cu doping effectively regulates the work function of phosphorene, which gradually decreases upon increasing Cu concentration. It is also interesting that Au can hardly change the work function of phosphorene.