Finding a junction partner for candidate solar cell absorbers enargite and bournonite from electronic band and lattice matching
| Autor: | Keith T. Butler, Yoyo Hinuma, Suzanne K. Wallace, Aron Walsh |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
EFFICIENCY Enargite General Physics and Astronomy FOS: Physical sciences 02 engineering and technology engineering.material Epitaxy 7. Clean energy 01 natural sciences 09 Engineering law.invention Physics Applied Lattice constant law Lattice (order) Ionization 0103 physical sciences Solar cell 01 Mathematical Sciences Applied Physics 010302 applied physics Condensed Matter - Materials Science Science & Technology 02 Physical Sciences business.industry Physics TOTAL-ENERGY CALCULATIONS Photovoltaic system Materials Science (cond-mat.mtrl-sci) Heterojunction GAP PERFORMANCE 021001 nanoscience & nanotechnology cond-mat.mtrl-sci ALIGNMENT Physical Sciences engineering Optoelectronics 0210 nano-technology business |
| Popis: | An essential step in the development of a new photovoltaic (PV) technology is choosing appropriate electron and hole extraction layers to make an efficient device. We recently proposed the minerals enargite (\enargite) and bournonite (\bournonite) as materials that are chemically stable with desirable optoelectronic properties for use as the absorber layer in a thin-film PV device. For these compounds, spontaneous lattice polarization with internal electric fields --- and potential ferroelectricity --- may allow for enhanced carrier separation and novel photophysical effects. In this work, we calculate the ionization potentials for non-polar surface terminations and propose suitable partners for forming solar cell heterojunctions by matching the electronic band edges to a set of candidate electrical contact materials. We then further screen these candidates by matching the lattice constants and identify those that are likely to minimise strain and achieve epitaxy. This two-step screening procedure identified a range of unconventional candidate contact materials including SnS2, ZnTe, WO3, and Bi2O3. Comment: 8 pages, 4 figures, 3 tables |
| Databáze: | OpenAIRE |
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