论文标题
费米柔软度：表面反应性的局部视角
Fermi softness: a local perspective on surface reactivity
论文作者
论文摘要
了解电子结构如何决定固体表面的反应性，是现代表面科学的核心主题。这通常是通过一些中间数量称为描述符来完成的。但是，与分子相比，这种描述符对于固体表面非常稀缺，这可能是由于它们的电子结构明显复杂（参见分子）。在这里，我们详细阐述了一个称为“费米柔软性”的概念理论，该理论通过空间和原子分辨率来预测表面反应性来区分自己。还提到了其他相关的概念和描述符，以使治疗综合。
Understanding how electronic structure determines the reactivity of solid surface, is a central topic of modern surface science. This is mostly commonly done through some intermediate quantity termed descriptor. However, such descriptors are very scarce for solid surface compared to for molecule, likely due to their significantly more complex electronic structure (cf. molecules). Here we elaborate on the theory of a concept dubbed "Fermi softness", which distinguishes itself by enabling prediction of surface reactivity with spatial as well as atomic resolution. Other pertinent concepts and descriptors are also mentioned so as to make the treatment comprehensive.
