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Two-dimensional auxetic pentagonal materials as water splitting photocatalysts with excellent performances
Ist Teil von
Journal of materials science, 2022-04, Vol.57 (15), p.7667-7679
Ort / Verlag
New York: Springer US
Erscheinungsjahr
2022
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Fantastic two-dimensional (2-D) materials have been used in various fields, especially in green energy fields, because of their unique structures and accompanied physical properties. Here, we theoretically propose a novel 2-D materials family namely penta-B
2
X (
X
= S, Se, Te) that can perfectly meet the needs of photocatalytic water splitting. The penta-B
2
S, penta-B
2
Se and penta-B
2
Te all belong to semiconductors with indirect bandgaps of 1.889 eV, 1.998 eV and 1.928 eV, respectively. More importantly, we note that the penta-B
2
X (
X
= S, Se, Te) family has high (up to ~ 10
5
cm
−1
) and anisotropic light absorption coefficients in the visible-ultraviolet region, and their band edge positions are able to nicely satisfy the redox potentials at pH = 7 without external adjustment. Besides, they have high and anisotropic carrier mobility (up to ~ 10
3
cm
2
V
−1
s
−1
) to ensure that the recombination of photogenerated carriers can be effectively reduced. Meanwhile, the penta-B
2
X (
X
= S, Se, Te) family possesses interesting in-plane negative Poisson's ratios (NPR) of − 0.141, − 0.117 and − 0.059, respectively. Thus, our results suggest that penta-B
2
X (
X
= S, Se, Te) can be used not only as promising water splitting photocatalysts with excellent performances but also for the design of funny nano electromechanical devices.