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Article
Density Functional Theory and Molecular Dynamics Study of the Cation Substitution Effect on the Structure of Halide Perovskites
For the last few years technical improvements of compositions and preparation procedures for perovskite-based solar cells have remarkably enhanced their energy conversion efficiency. Crystal and electronic str...
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Article
The Role of Specific Interactions in the Formation of Perovskite Structures
Using methylammonium lead iodide (MAPbI3) as an example, the process of complexation of molecular particles from solution at the initial stage of crystallization was studied using calculations based on the den...
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Article
Fractal Nanocatalysis and Related Phenomena
The concept of nanofractality is developed. Models describing the appearance of nanofractality in objects of different dimensions are presented. For two-dimensionality, analysis is based on the modification of...
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Article
The role of the fano resonance in multiple exciton generation in quantum dots
The phenomenon of interference between two pathways of electron transfer from the valence to the conduction band at a quantum dot is considered. The first way is the conventional “valence band–conduction band”...
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Article
On the degradation mechanism of functioning solar cells based on organic-inorganic perovskites
This paper presents the first attempt to build a model and detect the degradation mechanism of organic-inorganic photovoltaic solar cells based on perovskites. The cross section of the process of the formation...
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Article
Possible mechanisms of charge separation during exiton decay in the polymer matrices of third-generation solar cells
An important stage in the functioning of third-generation solar cells based on polymers is considered: the dissociation of exitons generated by solar light and the separation of the resulting electrons and hol...
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Chapter and Conference Paper
Charge Separation and Transport in Third Generation Hybrid Polymer-Fullerene Solar Cells
Exciton dissociation in polymer-fullerene hybrid organic solar cells is studied within the quantum mechanical and statistical approaches. The different mechanisms for splitting of exciton into electron and ho...
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Article
Problem on the Effective Electron Mass in Nanoclusters
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Article
Statistics, synergetics, and mechanism of multiple photogeneration of excitons in quantum dots: Fundamental and applied aspects
The effect of multiple exciton generation is analyzed based on statistical physics, quantum mechanics, and synergetics. Statistical problems of the effect of multiple exciton generation (MEG) are broadened and...