97 citations · 262 across the 12 of their papers we have counts for
4 papers · 1 filter
Role of Quantum-Confinement in Anatase Nanosheets
Daniele Varsano, Giacomo Giorgi, Koichi Yamashita +1
Despite most of the applications of anatase nanostructures rely on photoexcited charge processes, yet profound theoretical understanding of fundamental related properties is lackin…
Halogen in Materials Design: Revealing the Nature of Hydrogen Bonding and Other Non-Covalent Interactions in the Polymorphic Transformations of Methylammonium Lead Tribromide Perovskite
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques +1
Methylammonium lead tribromide perovskite (CH3NH3PbBr3, or MAPbBr3) as a photovoltaic material has attracted a great deal of recent interest. Factors that are important in their ap…
Comment on "Extended Halogen Bonding between Fully Fluorinated Aromatic Molecules: Kawai et al., ACS Nano, 2015, 9, 2574"
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques +1
The nature of fluorine-centered noncovalent interactions between Fully Fluorinated aromatic molecules is revisited.
Influence of the aggregate state on band structure and optical properties of C60 computed with different methods
Amrita Pal, Saeid Arabnejad, Koichi Yamashita +1
C60 and C60 based molecules are efficient acceptor and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initi…