Discovery of a new soft metallic monolayer BPt2

Abstract

We predict a new nonmagnetic monolayer BPt₂, a structural analog of two-dimensional MoS₂. This material exhibits a soft and elastic nature, with a Young’s modulus of 12.3 N/m, making it suitable for flexible and wearable electronics. BPt₂ monolayer is a robust metal that retains its metallicity even under many external factors such as strain, surface termination, and foreign atom adsorption. Due to the robust metallic nature, it prompted our investigation into BPt₂’s potential as an electrode material for next-generation metal ion batteries. Li, Na, Ca and Mg atoms could steadily adsorb onto the BPt₂ monolayer and storage capacity is comparable to the literature while diffusion barrier energies (31 meV for Mg, 48 meV for Ca, 70 meV for Na, 91 meV for Li) much lower than those of most high-capacity 2D materials. Apart from the industrial applications, it is also important from the physical and chemical perspective as a newly discovered monolayer introduced to the literature.