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Issue 40, 2019
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The novel two-dimensional photocatalyst SnN3 with enhanced visible-light absorption for overall water splitting

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Abstract

Herein, we proposed a novel excellent two-dimensional photocatalyst, the SnN3 monolayer, using first-principles calculations. The stability of the SnN3 monolayer was examined via formation energy, phonon spectroscopy and ab initio molecular dynamics simulations. The SnN3 monolayer has an ultra-high optical absorption capacity of the order of 105 cm−1 in the visible region, which is 3, 4 and 10 times those of SnP3, MoS2 and g-C3N4 monolayers, respectively. Moreover, it has a higher carrier mobility, 769.19 cm2 V−1 s−1, than the other monolayers; the available electrostatic potential of −5.02 eV and the appropriate band gap of 1.965 eV indicate its applicability as a catalyst for overall water splitting over a wide strain range. The electronic properties of the SnN3 monolayer could also be engineered effectively by altering the external strain and electric field.

Graphical abstract: The novel two-dimensional photocatalyst SnN3 with enhanced visible-light absorption for overall water splitting

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Publication details

The article was received on 11 Jul 2019, accepted on 17 Sep 2019 and first published on 18 Sep 2019


Article type: Paper
DOI: 10.1039/C9NR05906G
Nanoscale, 2019,11, 18628-18639

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    The novel two-dimensional photocatalyst SnN3 with enhanced visible-light absorption for overall water splitting

    S. Wu, Y. Shen, X. Gao, Y. Ma and Z. Zhou, Nanoscale, 2019, 11, 18628
    DOI: 10.1039/C9NR05906G

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