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WEB The limiting effect of interfacial band alignment on efficiency of earth-abundant chalcogenide photovoltaic materials

Tuesday (02.06.2020)
14:31 - 14:31 Poster Room
Part of:
- Poster *web*Simulation of Spinning Processes with Experimental Validation 1 Stefan Hermanns
- Poster *web*Screening Solubility-Enhancing Coformers in Amorphous Solid Dispersions: a Group Contribution based Miscibility Method 1 Milad Asgarpour Khansary
- Poster *web*Thermal emission of colloid-based plasmonic structures for radiative cooling 1 Kishin Matsumori
- Poster *web*Free energies of segregation: thermodynamic integration at grain boundaries using pyiron 1 Dr. Liam Huber
- Poster *web*Effective mobility of BCC dislocations in two-dimensional discrete dislocation plasticity 1 Tarun Katiyar
- Poster TBA -
- Poster *web*Computer Aided Reliability by additive manufacturing of components with locally varied properties 1 Dr. Iliya Radulov
- Poster *web*Numerical Study of Solidification in Metallic Droplet 1 Dandan Yao
- Poster TBA -
- Poster TBA -
- Poster TBA -
- Poster TBA -
- Poster *web*Thermodynamic assessment and modelling of interactions in liquid Ni alloys/oxide systems 1 Saverio Sitzia
- Poster *web*The limiting effect of interfacial band alignment on efficiency of earth-abundant chalcogenide photovoltaic materials 1 Dr. Elaheh Ghorbani
- Poster *web*HMC hub matter for as a resource for materials research in the German research landscape 1 Dr. Oonagh Mannix
- Poster *web*Nanoindentation of Al: Molecular dynamics simulations and dislocation dynamics simulations 1 Sa-Ly Dang
- Poster *web*Rational Design of Metal Anchored Carbon Quantum Dots as Optimal Efficient Electrocatalysts for Hydrogen production Using Machine Learning and High-throughput Experimentation 1 Yujin Chae
- Poster *web*Correlating Raman Spectra of Ibuprofen, Nicotinamide and Their Dimers 1 Milad Asgarpour Khansary
- Poster *web*High Throughput Screening for Electrochemical Nitrogen Reduction for the Ammonia Synthesis via Machine Learning 1 JaeHyoung Lim
- Poster Thermodynamic investigation of oxidation behavior of NiAl intermetallics with embedded Cr and Mo 1 Golnar Geramifard

Session -M: Modelling, Simulation, and Data
Belongs to:
Topic X: Poster Session

Earth-abundant and environmentally-friendly Cu2-II-IV-VI4 (II = Sr, Ba; IV = Ge, Sn; VI = S,Se) are considered materials for the absorber layers in thin-film solar cells. Attempts to understand and improve optoelectronic properties of these newly emerged absorbers resulted in an efficiency of 5.2% in less than 2 years.

So far, however, the energy band alignment at the buffer/absorber interface received little attention; an information which is of crucial importance for designing high performance devices. Current contribution focuses on the band alignment between these materials and the CdS buffer. Using core level energies, band discontinuities are calculated at the buffer/absorber interface by first-principles calculations. The results yield a type-II band alignment between all Cu2-II-IV-VI4 absorbers and CdS, hence a negative ΔEc. Adoption of a negative ΔEc (cliff-like conduction band offset) at the buffer/absorber interface, however, gives rise to low open circuit voltage and high interface-related recombinations. Therefore, it is necessary to search for an alternative buffer material that forms a type-I band alignment with these absorbers, where the conduction band minimum and the valence band maximum are both localized on the absorber side.

Dr. Elaheh Ghorbani
Technische Universität Darmstadt