Hybrid Density-Functional Theory Calculations of Electronic and Optical Properties of Mercaptocarboxylic Acids on ZnO(101̅0) Surfaces
| Autor: | Dennis Franke, Michael Lorke, Andreia Luisa da Rosa, Th. Frauenheim |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Carbon chain
Work (thermodynamics) Materials science 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy Adsorption Chemical physics 0103 physical sciences Density functional theory Physical and Theoretical Chemistry 010306 general physics 0210 nano-technology Electronic properties |
| Zdroj: | The Journal of Physical Chemistry C. 122:24838-24842 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.8b08412 |
| Popis: | In this work, we investigate the electronic properties of mercaptocarboxylic acids with several carbon chain lengths adsorbed on ZnO(1010) surfaces via density-functional theory calculations using... |
| Databáze: | OpenAIRE |
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