石墨烯在铁上的摩擦化学及其在钢润滑中的可能作用
Tribochemistry of graphene on iron and its possible role in lubrication of steel
摘要：
最近的摩擦学实验表明，石墨烯能够在干燥和潮湿条件下非常有效地润滑宏观尺度的钢对钢滑动接触。这种效应归因于石墨烯与其承载能力相关的机械作用。在这里，我们通过分析石墨烯的摩擦化学作用，进一步了解石墨烯作为润滑剂的功能。通过第一性原理计算，我们表明，石墨烯强烈地结合到天然铁表面，大大降低了它们的表面能。由于钝化作用，石墨烯涂覆的金属表面变得几乎惰性，并且在滑动接触中配合时呈现非常低的粘附力和剪切强度。我们通过建立摩擦学和界面的电子性质之间的联系来推广这一结果，这与理解摩擦力的基本性质有关。
英文摘要：
Recent tribological experiments revealed that graphene is able to lubricate macroscale steel-on-steel sliding contacts very effectively both in dry and humid conditions. This effect has been attributed to a mechanical action of graphene related to its load-carrying capacity. Here we provide further insight into the functionality of graphene as lubricant by analysing its tribochemical action. By means of first principles calculations we show that graphene binds strongly to native iron surfaces highly reducing their surface energy. Thanks to a passivating effect, the metal surfaces coated by graphene become almost inert and present very low adhesion and shear strength when mated in a sliding contact. We generalize the result by establishing a connection between the tribological and the electronic properties of interfaces, which is relevant to understand the fundamental nature of frictional forces.
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