73 citations · 111 across the 3 of their papers we have counts for
4 papers
Theoretical investigation of the lattice thermal conductivities of II-IV-V2 pnictide semiconductors
Victor Posligua, Jose J. Plata, Antonio M. Márquez +2
Ternary pnictides semiconductors with II-IV-V2 stoichiometry hold potential as cost effective thermoelectric materials with suitable electronic transport properties, but their latt…
Mixed-anion mixed-cation perovskite (FAPbI)(MAPbBr): an ab-initio molecular dynamics study
Eduardo Menéndez-Proupin, Shivani Grover, Ana L. Montero-Alejo +3
Mixed-anion mixed-cation perovskites with (FAPbI)(MAPbBr) composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behav…
Electron and phonon transport in shandite-structured NiSnS
Alex Aziz, Panagiotis Mangelis, Paz Vaqueiro +2
The shandite family of solids, with hexagonal structure and composition A3M2X2 (A = Ni,Co,Rh,Pd; M = Pb,In,Sn,Tl; X = S,Se), has attracted recent research attention due to promisin…
Adsorption of organic molecules at the TiO2(110) surface: the effect of van der Waals interactions
Marcus Tillotson, Peter Brett, Roger A. Bennett +1
Understanding the interaction of organic molecules with TiO2 surfaces is important for a wide range of technological applications. While density functional theory (DFT) calculation…