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Substantial bulk photovoltaic effect enhancement via nanolayering

Author

Listed:
  • Fenggong Wang

    (The Makineni Theoretical Laboratories, University of Pennsylvania)

  • Steve M. Young

    (Center for Computational Materials Science, United States Naval Research Laboratory, Washington, DC 20375)

  • Fan Zheng

    (The Makineni Theoretical Laboratories, University of Pennsylvania)

  • Ilya Grinberg

    (The Makineni Theoretical Laboratories, University of Pennsylvania)

  • Andrew M. Rappe

    (The Makineni Theoretical Laboratories, University of Pennsylvania)

Abstract

Spontaneous polarization and inversion symmetry breaking in ferroelectric materials lead to their use as photovoltaic devices. However, further advancement of their applications are hindered by the paucity of ways of reducing bandgaps and enhancing photocurrent. By unravelling the correlation between ferroelectric materials’ responses to solar irradiation and their local structure and electric polarization landscapes, here we show from first principles that substantial bulk photovoltaic effect enhancement can be achieved by nanolayering PbTiO3 with nickel ions and oxygen vacancies ((PbNiO2)x(PbTiO3)1−x). The enhancement of the total photocurrent for different spacings between the Ni-containing layers can be as high as 43 times due to a smaller bandgap and photocurrent direction alignment for all absorption energies. This is due to the electrostatic effect that arises from nanolayering. This opens up the possibility for control of the bulk photovoltaic effect in ferroelectric materials by nanoscale engineering of their structure and composition.

Suggested Citation

  • Fenggong Wang & Steve M. Young & Fan Zheng & Ilya Grinberg & Andrew M. Rappe, 2016. "Substantial bulk photovoltaic effect enhancement via nanolayering," Nature Communications, Nature, vol. 7(1), pages 1-7, April.
  • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms10419
    DOI: 10.1038/ncomms10419
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    Cited by:

    1. Feng Ke & Jiejuan Yan & Shanyuan Niu & Jiajia Wen & Ketao Yin & Hong Yang & Nathan R. Wolf & Yan-Kai Tzeng & Hemamala I. Karunadasa & Young S. Lee & Wendy L. Mao & Yu Lin, 2022. "Cesium-mediated electron redistribution and electron-electron interaction in high-pressure metallic CsPbI3," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    2. Jiaojian Shi & Haowei Xu & Christian Heide & Changan HuangFu & Chenyi Xia & Felipe Quesada & Hongzhi Shen & Tianyi Zhang & Leo Yu & Amalya Johnson & Fang Liu & Enzheng Shi & Liying Jiao & Tony Heinz &, 2023. "Giant room-temperature nonlinearities in a monolayer Janus topological semiconductor," Nature Communications, Nature, vol. 14(1), pages 1-8, December.

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