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Molecular Electronics Including Temperature Effects Based on Dyes Pigments

机译:包括基于染料颜料的温度效应的分子电子

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In this work we used the Density Functional Theory to study the thermodynamic properties from Brazilein (BZE) and Brazilin (BZI) molecules, main pigments responsible for the red color from Brazil wood. We did a comparison between the two dyes to then know which dye has better resistance to temperature (T) and external electric field (E) values, aiming their potential to possible applications in solar cells, as excitons trainers. We have found that the BZE molecule becomes less stable after a temperature known as degradation temperature, and therefore enters oxidation state. However, BZE is more stable and more resistant to high temperatures. With respect to the applied external electric field, we find that BZE is more reactive to almost all the applied electric fields, thus more easily converted into energy in the form of electrical work.
机译:在这项工作中,我们利用密度泛函理论来研究来自巴西林(BZE)和巴西(BZI)分子的热力学性质,负责巴西木材的红颜色的主要颜料。 我们在两种染料之间进行了比较,然后知道哪种染料对温度(t)和外部电场(e)值具有更好的抵抗力,旨在它们在太阳能电池中可能的应用,如激动子培训师。 我们发现,在称为降解温度的温度后,BZE分子变得较低,因此进入氧化状态。 然而,BZE更稳定,更耐高温。 关于应用的外部电场,我们发现BZZE对几乎所有应用的电场更具反应,因此更容易以电气工作的形式转换成能量。

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