Chemical Physics ( IF 2.0 ) Pub Date : 2020-01-24 , DOI: 10.1016/j.chemphys.2020.110689 Xiji Shao , Xuhang Ma , Mingjing Liu , Tao Zhang , Yaping Ma , Chaoqiang Xu , Xuefeng Wu , Tao Lin , Kedong Wang
Picene, as one representative of polycyclic hydrocarbons, represents an appealing application in hydrocarbon superconductors. Here, using scanning tunneling microscopy and spectroscopy combined with density functional theory calculations, we investigated the structural and electronic properties of picene thin films on p-type SnSe and Au(111) surfaces. For both substrates, at low coverage, the molecules present a flat-lying geometry, while at high coverage, the molecules exhibit alternating flat-lying and tilt-standing configurations. The diffusion of the molecules on SnSe and the splitting of lowest unoccupied molecular orbital state on Au(111) indicate that SnSe surface has a weaker interaction with the adsorbed molecules compared to other metallic substrate. Therefore, based on our study on structural and electronic properties, we conclude that a semiconductor substrate can maintain the intrinsic properties of picene films. The study of picene on different substrates may pave a way to unveil the structural and electronic properties of hydrocarbon superconductors on substrates.
中文翻译:
SnSe和Au(111)表面上的pic烯薄膜的比较研究
作为多环烃的代表之一,皮烯代表了在烃超导体中的诱人应用。在这里,使用扫描隧道显微镜和光谱学结合密度泛函理论计算,我们调查了p型SnSe和Au(111)表面上的pic烯薄膜的结构和电子性能。对于两种基材,在低覆盖率下,分子均表现出平坦的几何形状,而在高覆盖率时,分子表现出交替的平躺和直立构型。分子在SnSe上的扩散以及Au(111)上最低的未占据分子轨道状态的分裂表明,与其他金属基底相比,SnSe表面与吸附的分子的相互作用较弱。因此,根据我们对结构和电子特性的研究,我们得出的结论是,半导体衬底可以保持野餐膜的固有特性。对不同基质上的pic烯的研究可能为揭示基质上碳氢化合物超导体的结构和电子性质铺平道路。