The effect of piezo-photocatalysis on enhancing the charge carrier separation in BaTiO3/KNbO3 heterostructure photocatalyst

Synergistic Piezo-Photocatalysis of BiOCl/NaNbO3 Heterojunction Piezoelectric Composite for High-Efficient Organic Pollutant Degradation

“…The rate constant k under synergy of piezocatalysis and photocatalysis is 38.4 and 4.36 times higher than that of only ultrasound and only light. In addition, based on the same condition, compared to other piezoelectric materials past reported, the k value of BN-3 is higher than that of NaNbO 3 /CuBi 2 O 4 nanocomposites (0.0112 min −1 ) [ 27 ], and closing to that of BaTiO 3 /KNbO 3 heterostructure (0.01492 min − 1 ) [ 28 ]. The result confirms that the synergy effect of piezocatalysis and photocatalysis of BiOCl/NaNbO 3 piezoelectric composite plays an important role in the highly efficient degradation of RhB.…”

First-principles high-throughput screening of bulk piezo-photocatalytic materials for sunlight-driven hydrogen production

“…In the second position of Table 2, it appears the perovskite oxide KNbO 3 for which recently its great piezo-photocatalytic potential has been experimentally demonstrated. 29,30 In fact, according to our DFT calculations KNbO 3 possesses superior photocatalytic band structure features than BaTiO 3 (which appears in the fifth position), namely, a slightly smaller band gap and a larger α rev η coefficient. Likewise, ZnO, another known photocatalytic and piezo-photocatalytic compound, shows up in the ninth position of our definitive list, which comes to assure the reliability of our computational screening method.…”

High-throughput screening of piezo-photocatalytic materials for hydrogen production

“…In the second position of Table II, it appears the oxide perovskite KNbO 3 for which recently its great piezophotocatalyst potential has been experimentally recognized [29,30] and which according to our calculations possesses superior photocatalytic band structure properties than BaTiO 3 (i.e., a slightly smaller band gap and a larger α rev η coefficient). In the third and fourth positions, we find LaN and PtF 4 , two materials that, to the best of our knowledge, have not been investigated thus far as potential water splitting photocatalysts in spite of their ap-propriate band gap and large band alignments tunability.…”

“…It is worth noting that our first-principles based highthroughput search identified already well known piezophotocatalysts like BaTiO 3 [20][21][22] and KNbO 3 [29,30]. Other piezoelectric materials frequently employed in optoelectronic applications like ZnO and InN [31] were not retrieved by our computational analysis because the corresponding E g values appearing in the MP database were noticeably smaller than 1.23 eV.…”