Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany.
Phys Chem Chem Phys. 2012 Aug 7;14(29):10125-31. doi: 10.1039/c2cp23748b. Epub 2012 Jun 22.
The adsorption of terephthalic acid molecules [C(6)H(4)(COOH)(2)), TPA] on a single layer of graphene grown epitaxially on Ni(111) has been investigated by means of near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS) at room temperature. The assignment of the NEXAFS resonances was aided by ab initio calculations for the free TPA molecule. For coverages up to a monolayer the molecular plane of TPA adopts a parallel orientation with regard to the epitaxial graphene (EG) layer. Deprotonation of TPA molecules at one monolayer coverage can be excluded. For TPA multilayers, the molecular plane is tilted on average by approximately 45° with respect to the sample surface.
通过室温下的近边 X 射线吸收精细结构（NEXAFS）光谱和 X 射线光电子能谱（XPS）研究了吸附在 Ni（111）外延生长的单层石墨烯上的对苯二甲酸分子（C（6）H（4）（COOH）（2）），TPA）。通过对游离 TPA 分子的从头算计算，帮助确定了 NEXAFS 共振的分配。对于高达单层的覆盖度，TPA 的分子平面相对于外延石墨烯（EG）层采用平行取向。可以排除在单层覆盖度时 TPA 分子的去质子化。对于 TPA 多层，分子平面相对于样品表面平均倾斜约 45°。
