Year: 2012
Type: article
Abstract: The effects of lithium doping on the nonlinear optical properties of new electrodes (lithium-doped corannulene) were investigated in detail. Nine dynamically stable geometries of Li n -C20H10 (n=1, 2) are predicted by B3LYP/6-31G(d,p). Among these nine structures, the largest first static hyperpolarizability (β 0) is computed to be 15314 au, which is dramatically larger than the β 0 value of 74 au for C20H10, indicating that Li doping plays an important role in elevating the first hyperpolarizability of corannulene.
Source: Chinese Science Bulletin
Institution: Inner Mongolia Normal University
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Award: 全氟酸（羧酸和磺酸）降解机理的理论研究
OpenAlex ID: W1968327997