First-principles Calculations of Bulk and Interfacial Thermodynamic Properties of the T1 phase in Al-Cu-Li alloys
Sign Up to like & getrecommendations! Published in 2021 at "Scripta Materialia"
DOI: 10.1016/j.scriptamat.2021.114009
Abstract: Abstract We recently proposed a new, low-energy atomic structure of the Al2CuLi (T1) phase using first-principles calculations based on density functional theory [Acta Mater. 145 (2018) 337-346]. Here, we refine the Li positions in the… read more here.
Keywords: principles calculations; interfacial thermodynamic; first principles; bulk interfacial ... See more keywords
Thermal degradation of the bulk and interfacial traps at 85 °C in perovskite photovoltaics.
Sign Up to like & getrecommendations! Published in 2023 at "Nanoscale"
DOI: 10.1039/d2nr06608d
Abstract: The facile formation of defects in halide perovskite has recently been regarded as the main bottleneck for both the efficiency and stability of perovskite solar cells (PSCs). Therefore, understanding and controlling defects and traps in… read more here.
Keywords: thermal degradation; bulk interfacial; traps perovskite; interfacial traps ... See more keywords