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ESR Anisotropy of Organic Semiconductor Molecules: Calculation and Experiment
Published online by Cambridge University Press: 02 August 2012
Abstract
We investigated the anisotropic g tensors of nine kinds of organic semiconductor molecules in the cationic state by density functional theory (DFT) calculations. Large anisotropy was obtained in sulfur-containing molecules because of the large spin-orbit coupling at the sulfur atoms. The calculated g values were validated by electron spin resonance (ESR) experiments for the cation radicals in solution.
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- MRS Online Proceedings Library (OPL) , Volume 1436: Symposium K – Advanced Materials and Processes for Systems-on-Plastic , 2012 , mrss12-1436-k09-09
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- Copyright © Materials Research Society 2012