55 citations · 61 across the 2 of their papers we have counts for
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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…
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…
Unraveling a Structure-Property Relationship for Methylammonium Lead/Tin Trihalide Organic-Inorganic Hybrid Perovskite Solar Cells
Arpita Varadwaj, Pradeep R. Varadwaj, Koichi Yamashita
The esoteric importance of intermolecular hydrogen bonding interaction to design novel methylammonium trihalide organic-inorganic hybrid perovskite solar cell materials is uncovere…
Why Do Eight Units of Methylammonium Enclose PbI6 Octahedron in Large-Scale Crystals of Methylammonium Lead Iodide Perovskite Solar Cell? An Answer from First-Principles Study
Pradeep R. Varadwaj, Arpita Varadwaj, Koichi Yamashita
Methylammonium lead triiodide (CH3NH3PbI3) perovskite solar cell is a gem in the list of photovoltaic semiconductors. Although there are numerous fundamental and technological ques…