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| Unveiling orbital coupling at the CoPc/Bi(111) surface by ab initio calculations and photoemission spectroscopy | |
| Liang, ZF; Sun, HL; Shen, KC; Hu, JB; Song, B; Lu, YH; Jiang, Z; Song, F | |
| 2017 | |
| Source Publication | RSC ADVANCES
 |
| ISSN | 2046-2069 |
| Volume | 7Issue:82Pages:52143-52150 |
| Subtype | 期刊论文 |
| Abstract | The interfacial electronic structures of cobalt phthalocyanine adsorbed on a semimetal Bi(111) surface have been systematically investigated herein. Our study first indicates that the CoPc molecule is quite sensitive to the adsorption site on the relatively inert Bi(111) surface. Secondly, apparent change of the electronic structures of CoPc has been revealed upon adsorption as compared to that in the gas phase, due to the orbital coupling between the cobalt partial empty state and the surface state from the bismuth substrate and interfacial charge transfer. Interestingly, the local magnetic moment is still retained for the adsorbed CoPc molecule on the diamagnetic Bi(111) surface, which is different to that on other noble metal substrates. Analysis of the charge density difference and the Bader charge provides evident insight on the mechanism of interfacial charge transfer which is chiefly mediated by the central Co atom and the weak vdW dispersion between the pi-conjugated macrocyclic ligand and the bismuth substrate, as further confirmed by experimental XPS results. In the end, our report may provide an appealing route towards the fundamental understanding and reliable engineering of interfacial interactions between magnetic and semimetal nanostructures. |
| Keyword | Photoelectron-spectroscopy Cobalt Phthalocyanine Metal-surfaces Charge-transfer Thin-films Adsorption Molecules Graphene Growth 1st-principles |
| DOI | 10.1039/c7ra09495g |
| Indexed By | SCI |
| WOS Keyword | PHOTOELECTRON-SPECTROSCOPY ; COBALT PHTHALOCYANINE ; METAL-SURFACES ; CHARGE-TRANSFER ; THIN-FILMS ; ADSORPTION ; MOLECULES ; GRAPHENE ; GROWTH ; 1ST-PRINCIPLES |
| Language | 英语 |
| WOS ID | WOS:000415116800050 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28892 |
| Collection | 中科院上海应用物理研究所2011-2020年 |
| Recommended Citation GB/T 7714 | Liang, ZF,Sun, HL,Shen, KC,et al. Unveiling orbital coupling at the CoPc/Bi(111) surface by ab initio calculations and photoemission spectroscopy[J]. RSC ADVANCES,2017,7(82):52143-52150. |
| APA | Liang, ZF.,Sun, HL.,Shen, KC.,Hu, JB.,Song, B.,...&Song, F.(2017).Unveiling orbital coupling at the CoPc/Bi(111) surface by ab initio calculations and photoemission spectroscopy.RSC ADVANCES,7(82),52143-52150. |
| MLA | Liang, ZF,et al."Unveiling orbital coupling at the CoPc/Bi(111) surface by ab initio calculations and photoemission spectroscopy".RSC ADVANCES 7.82(2017):52143-52150. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Unveiling orbital co（1797KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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