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J Phys Chem Lett. 2018 Sep 20;9(18):5254-5261. doi: 10.1021/acs.jpclett.8b02293. Epub 2018 Aug 31.

Energy Level Evolution and Oxygen Exposure of Fullerene/Black Phosphorus Interface.

Wang C1,2, Niu D1, Wang S1, Zhao Y1, Tan W1, Li L1,3, Huang H1, Xie H1, Deng Y2,4, Gao Y1,5.

Author information

1
Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics , Central South University , Changsha , Hunan 410012 , China.
2
Light Alloy Research Institute , Central South University , Changsha 410083 , China.
3
School of Electronics and Information Engineering , Central South University of Forestry and Technology , Changsha , Hunan 410004 , China.
4
School of Materials Science and Engineering , Central South University , Changsha 410083 , China.
5
Department of Physics and Astronomy , University of Rochester , Rochester , New York 14627 , United States.

Abstract

The heteroepitaxial growth of fullerene (C60) on single-crystal black phosphorus (BP) has been studied using low-energy electron diffraction, X-ray and ultraviolet photoelectron spectroscopy, and density functional theory simulation. The occupied orbital features from C60 observed in the photoelectron spectra for C60/BP interface are slightly broadened at higher coverages of C60 and exhibit no direct evidence of hybridization, demonstrating that the C60/BP interaction is physisorption. Oxygen exposure of interface leads to obvious oxidation of BP in which C60 bridges the large electron-transfer barrier from BP to oxygen and plays an important role for the production of O2- and oxidation of BP. Our findings suggest that C60 does not form an ideal protection layer as the other n-type semiconductors. With the assistance of density functional theory calculations, the oxidized phosphorus at the interface prevents further charge transfer from BP to C60.

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