Photocatalytic properties of anisotropic β-PtX2 (X = S, Se) and Janus β-PtSSe monolayers
Document Type
Article
Publication Date
9-1-2022
Department
Department of Physics
Abstract
The highly efficient photocatalytic water splitting process to produce clean energy requires novel semiconductor materials to achieve a high solar-to-hydrogen energy conversion efficiency. Herein, the photocatalytic properties of anisotropic β-PtX2 (X = S, Se) and Janus β-PtSSe monolayers were investigated based on the density functional theory. The small cleavage energy for β-PtS2 (0.44 J m−2) and β-PtSe2 (0.40 J m−2) endorses the possibility of mechanical exfoliation from their respective layered bulk materials. The calculated results revealed that the β-PtX2 monolayers have an appropriate bandgap (∼1.8-2.6 eV) enclosing the water redox potential, light absorption coefficient (∼104 cm−1), and exciton binding energy (∼0.5-0.7 eV), which facilitates excellent visible-light-driven photocatalytic performance. Remarkably, the inherent structural anisotropy leads to an anisotropic high carrier mobility (up to ∼5 × 103 cm2 V−1 S−1), leading to a fast transport of photogenerated carriers. Notably, the required small external potential to realize hydrogen evolution reaction and oxygen evolution reaction processes with an excellent solar-to-hydrogen energy conversion efficiency for β-PtSe2 (∼16%) and β-PtSSe (∼18%) makes them promising candidates for solar water splitting applications.
Publication Title
Physical Chemistry Chemical Physics
Recommended Citation
Jamdagni, P.,
Kumar, A.,
Srivastava, S.,
Pandey, R.,
&
Tankeshwar, K.
(2022).
Photocatalytic properties of anisotropic β-PtX2 (X = S, Se) and Janus β-PtSSe monolayers.
Physical Chemistry Chemical Physics,
24(36), 22289-22297.
http://doi.org/10.1039/d2cp02549c
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/16463