论文标题
甲苯基噻唑基在钴上的自组装单层,具有高电导的旋转型旋转比率
Terphenylthiazole-based self-assembled monolayers on cobalt with high conductance photo-switching ratio for spintronics
论文作者
论文摘要
在AU和铁磁CO电极上合成了两个新的可切换二苯二唑的分子并自组装为单层。通过在超高真空中通过导电原子力显微镜探测的电子传输性能显示光引起的闭合(c)形式大于开放式(O)形式。我们报告了在硫唑单位两个N原子的锚固组(硫醇)的CO上的闭合形式和开放形式之间的前所未有的电导率。该结果通过密度功能理论(DFT)计算合理化,该计算与非平衡绿色功能(NEGF)形式主义结合在一起。这些计算表明,封闭形式的高电导率是由于Terphenylthizole分子和CO电极之间的强烈电子耦合在CO电极的费米能量上通过较大的宽扩展而在CO电极的Fermi Energy处表现出的CO电极。对于在金电极上自组装的相同分子,观察到这种行为。这些高电导率比例使这些基于CO的分子连接率有吸引力的候选物,以开发和研究可切换的分子自旋装置。
Two new photo-switchable terphenylthiazoles molecules are synthesized and self-assembled as monolayers on Au and on ferromagnetic Co electrodes. The electron transport properties probed by conductive atomic force microscopy in ultra-high vacuum reveal a conductance of the light-induced closed (c) form larger than for the open (o) form. We report an unprecedented conductance ratio up to 380 between the closed and open forms on Co for the molecule with the anchoring group (thiol) on the side of the two N atoms of the thiazole unit. This result is rationalized by Density Functional Theory (DFT) calculations coupled to the Non-Equilibrium Green's function (NEGF) formalism. These calculations show that the high conductance in the closed form is due to a strong electronic coupling between the terphenylthiazole molecules and the Co electrode that manifests by a resonant transmission peak at the Fermi energy of the Co electrode with a large broadening. This behavior is not observed for the same molecules self-assembled on gold electrodes. These high conductance ratios make these Co-based molecular junctions attractive candidates to develop and study switchable molecular spintronic devices.