Quantum Molecular Dynamical Calculations of PEDOT 12-Oligomer and its Selenium and Tellurium Derivatives
نویسندگان
چکیده
1.—Material and Nanophysics Department, KTH Royal Institute of Technology, 164 40 Kista, Sweden. 2.—Swedish e-Science Research Center, KTH, 10044 Stockholm, Sweden. 3.—Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala, Sweden. 4.—Department of Electronics, Mathematics and Natural Sciences, University of Gävle, Gävle, Sweden. 5.—Laboratory of Organic Electronics, Department of Science and Technology, Linköping University, 601 74 Norrköping, Sweden. 6.—e-mail: [email protected]
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Temperature dependence of band gaps and conformational disorder in PEDOT and its selenium and tellurium derivatives: Density functional calculations.
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