Structural, electronic and optical properties of ABTe2 (A = Li, Na, K, Rb, Cs and B = Sc, Y, La): Insights from first-principles computations
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2019.120954
Abstract: Abstract In this contribution, ternary telluride ABTe2 compounds are proposed as promising candidates for n-type semiconductor materials in photovoltaic and photochemical devices. We report the successful calculations of the most fundamental properties needed in the… read more here.
Keywords: structural electronic; abte2 insights; optical properties; electronic optical ... See more keywords
Atomic-level insights into the first cycle irreversible capacity loss of Ni-rich layered cathodes for Li-ion batteries
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Materials Chemistry A"
DOI: 10.1039/d3ta01822a
Abstract: Nickel-rich layered cathode materials and their correlation with the electronic structure are crucial to understanding the functionality of Li-ion batteries in the commercial deployment of electric vehicles. In this study,... read more here.
Keywords: level insights; ion batteries; insights first; atomic level ... See more keywords
How to build a Protoribosome. Structural insights from the first protoribosome constructs that have proven to be catalytically active.
Sign Up to like & getrecommendations! Published in 2023 at "RNA"
DOI: 10.1261/rna.079417.122
Abstract: The modern ribosome catalyzes all coded protein synthesis in extant organisms. It is likely that its core structure is a direct descendant from the ribosome present in the last common ancestor (LCA). Hence, its earliest… read more here.
Keywords: peptide bond; structural insights; region; build protoribosome ... See more keywords