Abstract
Chirality is a fundamental feature of a structure, and chiral systems have been widely applied in many fields. This work mainly paid attention to effects of chiral interaction on molecular nonlinear optical (NLO) response. To this aim, D- or L-type alanine (Ala) with right or left handness respectively were added into chiral single-wall carbon nanotube (CNT) in this work. As a result by theoretical calculation, homo-chiral complex, namely, right-handed CNT with (D)-type Ala (or left-handed CNT with (L)-type Ala) would bring little stronger Ala-CNT interaction and larger first-order static hyperpolarizability βtot. In addition, βtot difference arising from charge transfer transition could be tuned by changing length and (or) chirality of CNT. These consequences were meaningful for further exploration of controlling molecular NLO properties by chirality.
Published Version
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