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The designed red TADF molecule possesses smaller reorganization energy than these for reported molecules.
Moreover, the latter has smaller reorganization energy and larger hole transfer integral resulting in the larger hole transporting mobility.
The decrease injection barrier and smaller reorganization energies are revealing that our designed derivatives would be efficient hole as well as electron transfer materials.
The smaller reorganization energies revealing that the electron transfer properties of new designed derivatives might be better/comparable to commonly used electron transfer materials (tris 8-hydroxyquinolinato aluminum).
It is found that compared with 2, 1a with sulfur atom inside has lower frontier orbital energy level, smaller reorganization energy and larger transfer integral and hole mobility.
Charge transport properties have been significantly improved for the designed molecules, such as narrower energy gaps, higher electron affinity, larger transfer integrals as well as much smaller reorganization energies for hole and electron.
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Aides to Representative David R. Obey of Wisconsin, the senior Democrat on the House Appropriations Committee, cited a $40 million estimate for a much more modest revamping of the Immigration and Naturalization Service, and said there were always costs involved in even the smallest reorganization.
In particular, it is observed that, amongst the positional isomers, the para isomers (S(n c) have got ultra-small reorganization energies than the other two positional isomers.
The overall small reorganization energy and the well-balanced electronic coupling between each component bear key characters for the unique efficiency of natural photosynthesis.
It may be explained by the small reorganization energy in C60 compared with that in conventional planar aromatic acceptors, as we have already proposed.
Tetracenes and their derivatives are widely used in organic semiconductors for the advantages of small reorganization energies and large electronic couplings.
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