From the 1 of 3 linked papers with an AI index.
3 papers
Synthesis of Ti2B2Clx MBenes in molten salts from theoretical and experimental perspectives
Rodrigo M. Ronchi, Emile Defoy, Andrejs Petruhins +11
The paper reports a molten‑salt method to convert Ti2InB2 into multilayer Ti2B2Clx MBene, combines experimental characterization with DFT calculations, and demonstrates its potenti…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Exploring the Structure and Chemistry of 1D and 2D Lepidocrocite TiO2 at Atomic Resolution
Eric Nestor Tseng, Jonas Björk, Risha Achaiah Iythichanda +6
Low dimensional materials are critical for enabling next generation applications that are central to addressing critical global challenges. Titanium dioxide nanostructures stand ou…