We describe a series of metastable Li₂O₂ crystal structures involving different orientations and displacements of the O₂²⁻ peroxy ions based on the known Li₂O₂ crystal structure. Within the vicinity of the chemical potential ΔG ~ 0.20 eV/Li from the thermodynamic ground state of the Li₂O₂...

A NIR absorbing squaraine dye has been synthesized as a sensitizer for use in dye-sensitized solar cells (DSCs). Following computational calculations, a benz[cd]indole moiety was selected as an electron-rich heterocyclic component and condensed with indole-based emisquaraine bearing a carboxyl...