1.9k citations · 2.3k across the 24 of their papers we have counts for
25 papers
Role of Inorganic Cations in the Excitonic Properties of Lead Halide Perovskites
Małgorzata Wierzbowska, Juan J. Meléndez
We theoretically investigate lead iodide perovskites of general formula APbI for a series of metallic cations (namely Cs, Rb, K, Na and Li) by means of the…
MoS2 thin-film transistors spin-states, of conduction electrons and vacancies, distinguished by operando electron spin resonance
Naho Tsunetomo, Shohei Iguchi, Małgorzata Wierzbowska +6
Transition metal dichalcogenide MoS2 is a two-dimensional material, attracting much attention for next-generation applications thanks to rich functionalities stemmed from the cryst…
Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…
Ferroelectric -stacks of molecules with the energy gaps in the sunlight range
Paweł Masiak, Małgorzata Wierzbowska
Ferroelectric -stacked molecular wires for solar cell applications are theoretically designed, in such a way that their energy gaps fall within visible and infrared range of the…
Breathing bands due to molecular order in CH3NH3PbI3
Malgorzata Wierzbowska, Juan Jose Melendez, Daniele Varsano
CH3NH3PbI3 perovskite is nowadays amongst the most promising photovoltaic materials for energy conversion. We have studied by ab-initio calculations, using several levels of approx…
Separate-path electron and hole transport across pi-stacked ferroelectrics for photovoltaic applications
Malgorzata Wawrzyniak-Adamczewska, Malgorzata Wierzbowska
Electron and hole separate-path transport is theoretically found in the pi-stacked organic layers and columns. This effect might be a solution for the charge recombination problem.…