352 citations · 360 across the 4 of their papers we have counts for
4 papers · 1 filter
Synthesis of Ti2B2Clx MBenes in molten salts from theoretical and experimental perspectives
Rodrigo M. Ronchi, Emile Defoy, Andrejs Petruhins +11
The unique properties and application possibilities of two-dimensional (2D) materials motivates the exploration of different nanolaminated compounds. Here, by using a molten salt a…
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…
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…
Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator
Paulo V. C. Medeiros, Stepan S. Tsirkin, Sven Stafström +1
We show that the spectral weights used for the unfolding of two-component spinor eigenstates $| {ψ_{m\vec K}^\mathrm{SC}} > = | α> | {ψ_{m\vec{K}}^\mathrm{SC,…