4.8 Article

Tuning the Carrier Lifetime in Black Phosphorene through Family Atom Doping

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 11, Issue 12, Pages 4662-4667

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.0c01300

Keywords

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Funding

  1. National Key Foundation of China
  2. Department of Science and Technology [2017YFA0204904, 2016YFA0200604]
  3. National Natural Science Foundation of China (NSFC) [11620101003, 11974322, 11704363]
  4. Anhui Initiative in Quantum Information Technologies [AHY090300]
  5. China Postdoctoral Science Foundation [2017M622498, 2018T110789]
  6. DOE Office of Biological and Environmental Research, and Supercomputing Center at USTC

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It is highly desirable to control the carrier lifetime in two-dimensional (2D) materials to suit the needs of various device functionalities. In this work, by ab initio nonadiabatic molecular dynamics simulation, we find the single atom doping from phosphorus family elements can sufficiently tune the carrier lifetime in black phosphorene (BP). Instead of forming electron-hole (e-h) recombination centers, the e-h recombination is suppressed by doping compared with the pristine BP. Moreover, it is found the carrier lifetime has a strong correlation with the mass of the doping atoms. A doping atom with larger mass leads to a longer lifetime. With the heaviest family element Bi doping, the carrier lifetime increases from 0.29 to 5.34 ns. This trend can be understood from the reduction of the nuclear velocity due to the heavy doping atom. We propose this conclusion can be extended to other monoelemental 2D semiconductors, which provides important guidance for the future design of functional nanodevices.

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