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    In: Nanoscale, Royal Society of Chemistry (RSC), Vol. 15, No. 24 ( 2023), p. 10458-10464
    Abstract: Two-dimensional photocatalytic materials with unique properties have been well-reported in recent decades. However, strategies for controlling the photocatalytic process are still ongoing. Herein, Janus X 2 PAs (X = Si, Ge and Sn) monolayers have been explored by first-principles calculations to meet this challenge. All strain-free X 2 PAs monolayers exhibit excellent photocatalytic properties with high carrier mobility (2.39 × 10 2 –1.34 × 10 4 cm 2 V −1 s −1 ), suitable band edge positions straddling the standard redox potential of water and large visible light absorption coefficients (up to 10 5 cm −1 ). Most importantly, a reaction switch effect is proposed for the first time towards controlling the microscopic photocatalytic process of water splitting on X 2 PAs monolayers through macroscopic mechanical strain. This effect renders the Janus X 2 PAs photocatalytic switches among the states of only oxygen evolution reaction, only hydrogen evolution reaction and the full redox reaction for controlled water splitting. This work not only provides a new avenue for designing highly tunable photocatalysts but also offers new physical insights into controlling the photocatalytic water-splitting reaction.
    Type of Medium: Online Resource
    ISSN: 2040-3364 , 2040-3372
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2023
    detail.hit.zdb_id: 2515664-0
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