Monolayer Group IV–VI Monochalcogenides: Low-Dimensional Materials for Photocatalytic Water Splitting
| Autor: | Ayan Datta, Chandra Chowdhury, Sharmistha Karmakar |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Chemistry
Band gap 02 engineering and technology Electronic structure 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Molecular physics 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Artificial photosynthesis General Energy Monolayer Atom Water splitting Physical and Theoretical Chemistry Atomic physics 0210 nano-technology Dispersion (chemistry) Photocatalytic water splitting |
| Zdroj: | The Journal of Physical Chemistry C. 121:7615-7624 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | Harvesting solar energy for artificial photosynthesis is an emerging area in alternative energy research. In the present article, we have investigated the photocatalytic properties of single-layer group IV–VI monochalcogenides, MXs (M = Ge, Si, Sn and X = S, Se) based on first-principles electronic structure calculations. Our dispersion corrected DFT calculations show that these materials have moderate cohesive energies ( |
| Databáze: | OpenAIRE |
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