Optimal balance: alkali metal-doped boron carbide nanosheets achieve superior stability and nonlinear optical responsiveness.

ABSTRACT: Nonlinear optical (NLO) materials play a vital role in various technological domains, including optoelectronics and photonic devices. Designing NLO materials, particularly inorganic ones, that strike a compromise between nonlinear optical sensitivity and stability has always been a difficult task. In order to improve the stability and NLO responsiveness, we propose and examine alkali metal-doped boron carbide nanosheets (M@BCNs) in this study. Calculated interaction energies (E _int), which span from -65.5 to -94.9 kcal mol^-1, show the stability of the M@BCN complexes. The first hyperpolarizability value has also increased, to a maximum of 3.11 × 10⁵ au, indicating improved nonlinear optical characteristics. QTAIM (quantum theory of atoms in molecules

SUBMITTER: Yaqoob J 

PROVIDER: S-EPMC11440352 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature