Two-dimensional ternary pentagonal BCX (X = P, As, and Sb): promising photocatalyst semiconductors for water splitting with strong piezoelectricity

The proposed penta-BCX (X = P, As, and Sb) has low Young’s modulus and strong piezoelectricity. Strain can modulate their band edge positions and light absorption, thus enhancing their photocatalytic performance in the visible light and UV regions.