分子锚定使低价Ni（I）TPP稳定在铜上抵抗热诱导化学变化
Molecular anchoring stabilizes low valence Ni(I)TPP on copper against thermally induced chemical changes
摘要：
沉积在金属表面上的分子层的许多应用，从单原子催化到表面磁化学和生物传感，都依赖于使用热循环来再生系统的原始特性。因此，理解有机/金属界面热稳定性背后的微观起源是工程可靠的有机基器件的基础。在这里，我们研究了镍卟啉分子在铜表面作为一个原型系统包含一个金属中心，其氧化态可以通过与金属基板的相互作用来控制。我们证明了强分子-表面相互作用，然后在界面处的电荷转移，通过刚性地将卟啉锚定到衬底上，在层的热稳定性中起着根本性的作用。热处理后，分子在420 K发生不可逆转变，这与来自基底的电荷转移增加有关，主要集中在苯基取代基上，并且后者向下倾斜而没有任何化学修饰
英文摘要：
Many applications of molecular layers deposited on metal surfaces, ranging from single-atom catalysis to on-surface magnetochemistry and biosensing, rely on the use of thermal cycles to regenerate the pristine properties of the system. Thus, understanding the microscopic origin behind the thermal stability of organic/metal interfaces is fundamental for engineering reliable organic-based devices. Here, we study nickel porphyrin molecules on a copper surface as an archetypal system containing a metal center whose oxidation state can be controlled through the interaction with the metal substrate. We demonstrate that the strong molecule-surface interaction, followed by charge transfer at the interface, plays a fundamental role in the thermal stability of the layer by rigidly anchoring the porphyrin to the substrate. Upon thermal treatment, the molecules undergo an irreversible transition at 420 K, which is associated with an increase of the charge transfer from the substrate, mostly localized on the phenyl substituents, and a downward tilting of the latters without any chemical modification
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