Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.

ABSTRACT: Finding new birefringent materials with deep-ultraviolet (DUV, λ < 200 nm) transparency is urgent, as current commercial materials cannot meet the rapidly growing demands in related application fields. Herein, three guanidinium-based compounds, C(NH₂)₃CH₃SO₃, β-C(NH₂)₃Cl, and γ-C(NH₂)₃Cl, all featuring [C(NH₂)₃·X]_∞ (X = CH₃SO₃ and Cl) pseudo layers, were designed through structural motif tailoring. Theoretical calculations indicate that these metal-free compounds all possess broad bandgaps (6.49-6.71 eV, HSE06) and remarkable birefringence (cal. 0.166-0.211 @ 1064 nm). Centimeter-sized C(NH₂)₃CH₃SO₃

SUBMITTER: Li Y 

PROVIDER: S-EPMC11342152 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature