Browsing Scholarly Articles by Duke-affiliated Author "Beratan, David N."

Now showing items 1-4 of 4

Modulating Unimolecular Charge Transfer by Exciting Bridge Vibrations

Xiao, Dequan; Beratan, David (AMER CHEMICAL SOC, 2009)

Ultrafast UV-vibrational spectroscopy was used to investigate how vibrational excitation of the bridge changes photoinduced electron transfer between donor (dimethytanitine) and acceptor (anthracene) moieties bridged by a ...
Optimizing Single-Molecule Conductivity of Conjugated Organic Oligomers with Carbodithioate Linkers

Beratan, David (AMER CHEMICAL SOC, 2010)

In molecular electronics, the linker group, which attaches the functional molecular core to the electrode, plays a crucial role in determining the overall conductivity of the molecular junction. While much focus has been ...
Predicting the Frequency Dispersion of Electronic Hyperpolarizabilities on the Basis of Absorption Data and Thomas-Kuhn Sum Rules

Hu, Xiangqian; Xiao, Dequan; Keinan, Shahar; Therien, Michael; Yang, Weitao; Beratan, David (AMER CHEMICAL SOC, 2010)

Successfully predicting the frequency dispersion of electronic hyperpolarizabilities is an unresolved challenge in materials science and electronic structure theory. We show that the generalized Thomas-Kuhn sum rules, ...
Steady-State Theory of Current Transfer

Beratan, David (AMER CHEMICAL SOC, 2010)

Current transfer is defined as a charge-transfer process where the transferred charge carries information about its original motion. We have recently suggested that such transfer causes the asymmetry observed in electron ...