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We have studied the effects of stretching and compression on the electronic properties of 7-alkanedithiol covalently linked to two Au electrodes. Results show a progressive increase in conductivity upon molecule compression and decrease with molecule stretching. The notable conductance increase at high compression is attributed to a significant modification of HOMO and LUMO orbitals of the junction,...
A new series of two-dimensional charge-transfer chromophores were designed and two of them were synthesized. Both theoretical and experimental results show there is no linear absorption in 620-1200 nm, so two-photon properties can be expected in this range. Two-photon absorption (TPA) cross-sections were theoretical studied by using quantum-chemical INDO/CI method combined with sum-over-states expression...
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