26 citations · 187 across the 14 of their papers we have counts for
7 papers · 1 filter
The role of thermal fluctuations and vibrational entropy for the delta-to-alpha transition in hybrid organic-inorganic perovskites: the FAPbI3 case
Junwen Yin, Gilberto Teobaldi, Li-Min Liu
FAPbI3, as a typical hybrid organic-inorganic perovskite, has attracted considerable interest due to its band gap suitable for visible light absorption and good thermal stability.…
Enhanced spin-orbit coupling in a heavy metal via molecular coupling
Satam Alotibi, B. J. Hickey, Gilberto Teobaldi +11
Heavy metals are key to spintronics because of their high spin-orbit coupling (SOC) leading to efficient spin conversion and strong magnetic interactions. When C60 is deposited on…
Density Functional Theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes
Stephan L. Koch, Benjamin J. Morgan, Stefano Passerini +1
To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (D…
What is the orientation of the tip in a scanning tunneling microscope?
Gábor Mándi, Gilberto Teobaldi, Krisztián Palotás
We introduce a statistical correlation analysis method to obtain information on the local geometry and orientation of the tip used in scanning tunneling microscopy (STM) experiment…
Contrast stability and "stripe" formation in Scanning Tunnelling Microscopy imaging of highly oriented pyrolytic graphite: The role of STM-tip orientations
Gábor Mándi, Gilberto Teobaldi, Krisztián Palotás
Highly oriented pyrolytic graphite (HOPG) is an important substrate in many technological applications and is routinely used as a standard in Scanning Tunnelling Microscopy (STM) c…
Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes
G. Teobaldi, N. S. Beglitis, A. J. Fisher +2
We report the first theoretical study of hydroxyl vacancies in aluminosilicate and aluminogermanate single-walled metal-oxide nanotubes. The defects are modeled on both sides of th…