|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Materials Discovery and Optimization – From Bulk to Materials Interfaces and 2D Materials
||Optimization of Buffer Layer Alloy Materials for CIGS Thin-Film Solar Cells
||Vincenzo Lordi, Joel B. Varley, Xiaoqing He, Angus Rockett, Jeff Bailey, Geordie Zapalac, Dmitry Poplavskyy, Neil Mackie, Atiye Bayman
|On-Site Speaker (Planned)
Achieving maximum efficiency CuInGaSe<SUB>2</SUB> solar cells requires optimization of the buffer layer deposited between absorber and transparent contact. Careful tradeoffs of band gap, conduction band offset, dopability, interface quality, and film crystallinity are required to simultaneously maximize carrier collection and transparency. We explore the (Cd,Zn)(O,S) alloy system using a combination of theory, synthesis, and characterization. Calculations were performed using hybrid density functional theory across the alloy composition range to search for optimal compositions based on a suite of computed properties. Critical aspects related to elemental intermixing across the absorber/buffer interface and secondary phase formation are also predicted. Devices were fabricated in a commercial production line using a continuous sputter process, with variations to produce films with different composition profiles and crystallinity, and analyzed with cross-section transmission electron microscopy. Correlation of predicted and observed properties allows rational optimization of material and devices. Prepared by LLNL under Contract DE-AC52-07NA27344.
||Definite: None Selected