The Surface Structure of Cu2O(100)
| Autor: | Mats Göthelid, Christofer Leygraf, Milad Ghadami Yazdi, Tore Brinck, Zahra Besharat, Anneli Önsten, Jonas Weissenrieder, Markus Soldemo, Joakim Halldin Stenlid |
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| Rok vydání: | 2016 |
| Předmět: |
chemistry.chemical_element
02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Copper Oxygen 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention Crystallography General Energy chemistry Electron diffraction X-ray photoelectron spectroscopy law Microscopy Surface structure Density functional theory Physical and Theoretical Chemistry Scanning tunneling microscope 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 120:4373-4381 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.5b11350 |
| Popis: | Despite the industrial importance of copper oxides, the nature of the (100) surface of Cu2O has remained poorly understood. The surface has previously been subject to several theoretical and experimental studies, but has until now not been investigated by atomically resolved microscopy or high-resolution photoelectron spectroscopy. Here we determine the atomic structure and electronic properties of Cu2O(100) by a combination of multiple experimental techniques and simulations within the framework of density functional theory (DFT). Low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) characterized the three ordered surface structures found. From DFT calculations, the structures are found to be energetically ordered as (3,0;1,1), c(2 × 2), and (1 × 1) under ultrahigh vacuum conditions. Increased oxygen pressures induce the formation of an oxygen terminated (1 × 1) surface structure. The most common termination of Cu2O(100) has previously been described by a (3√2 × √2)R45° unit cel... |
| Databáze: | OpenAIRE |
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