Piezoelectricity of the ice nanotube with odd side faces

The molecular dynamics (MD) simulations have been utilized to investigate the strain effect on the polarization distribution and piezoelectric coefficient of the ice nanotube (ice-NT) with odd side faces. It is found that the polarization of the system increases under the compressive strain, and decreases with the tensile strain. The piezoelectric coefficient is about 1.3 C/m² for a single 〈5, 0〉 ice-NT with its diameter of 4.34 Å, which is superior to BaTiO₃ nanowire, the ferroelectricity of the latter with the same diameter has been vanished owning to the depolarization effect. We have also considered the axial strain energy under the different strains, and found that most of the strain energy in the compressive process seems larger than that of the stretching case.