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doped: Python toolkit for robust and repeatable charged defect supercell calculations
SR Kavanagh, AG Squires, A Nicolson… - ar** engineering in the CdTe thin film solar cells
Cadmium telluride (CdTe) thin film solar cells have gained significant attention in the
photovoltaic industry due to their high efficiency and low cost. CdTe solar cells have …
photovoltaic industry due to their high efficiency and low cost. CdTe solar cells have …
Sulfur Vacancies Limit the Open-Circuit Voltage of Sb2S3 Solar Cells
Antimony sulfide (Sb2S3) is a promising candidate as an absorber layer for single-junction
solar cells and the top subcell in tandem solar cells. However, the power conversion …
solar cells and the top subcell in tandem solar cells. However, the power conversion …
Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields
The rational design of alloys and solid solutions relies on accurate computational
predictions of phase diagrams. The cluster expansion method has proven to be a valuable …
predictions of phase diagrams. The cluster expansion method has proven to be a valuable …
First-Principles Investigation into the Interaction of H2O with α-CsPbI3 and the Intrinsic Defects within It
N Wang, Y Wu - Materials, 2024 - mdpi.com
CsPbI3 possesses three photoactive black phases (α, β, and γ) with perovskite structures
and a non-photoactive yellow phase (δ) without a perovskite structure. Among these, α …
and a non-photoactive yellow phase (δ) without a perovskite structure. Among these, α …