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Realizing ultra-pure red emission with Sn-based lead-free perovskites

Rare Metals 2020年第4期39卷 330-331页

作者： oleksandr voznyy Department of Physical and Environmental Sciences University of Toronto ScarboroughScarboroughON MIC 1A4Canada

Light-emitting diodes(LEDs)are key for the development of next-generation displays for ultra-high-definition *** materials beyond organic LEDs are required to meet the color purity standards,while retaining low processing cost and environmental *** and colleagues report in Advanced Science that two-dimensional(2D)tin halide perovskite—efficiently stabilized by H3PO2 incorporation—has great promise for ultra-pure red LEDs.

关键词： Realizing ultra-pure red emission with Sn-based lead-free perovskites red

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Interpretable discovery of semiconductors with machine learning

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npj Computational Materials 2023年第1期9卷 1150-1160页

作者： Hitarth Choubisa Petar Todorović Joao M.Pina Darshan H.Parmar Ziliang Li oleksandr voznyy Isaac Tamblyn Edward H.Sargent Department of Electrical and Computer Engineering University of Toronto10 King’s College RoadTorontoON M5S 3G4Canada Department of Physical and Environmental Sciences University of TorontoScarboroughON M1C 1A4Canada Department of Physics University of OttawaOttawaON K1N 6N5Canada Vector Institute for Artificial Intelligence TorontoON M5G 1M1Canada

Machine learning models of material properties accelerate materials discovery,reproducing density functional theory calculated results at a fraction of the cost1–*** bridge the gap between theory and experiments,machine learning predictions need to be distilled in the form of interpretable chemical rules that can be used by *** we develop a framework to address this gap by combining evolutionary algorithm-powered search with machine-learning surrogate *** then couple the search results with supervised learning and statistical *** strategy enables the efficient search of a materials space while providing interpretable design *** demonstrate its effectiveness by developing rules for the design of direct bandgap materials,stable UV emitters,and IR perovskite ***,we conclusively show how DARWIN-generated rules are statistically more robust and applicable to a wide range of applications including the design of UV halide perovskites.

关键词： preta learning perovskite

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Electronic and optical properties of semiconductor and graphene quantum dots

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Frontiers of physics 2012年第3期7卷 328-352页

作者： Wei-dong Sheng Marek Korkusinski Alev Devrim Güçlü Michal Zielinski Pawel Potasz Eugene S.Kadantsev oleksandr voznyy Pawel Hawrylak Institute of Microstructural Sciences National Research Council of CanadaOttawaCanada Department of Physics Fudan UniversityShanghai 200433China Institute of Physics Nicalaus Copernicus University TorunPoland Institute of Physics Wroclaw University of TechnologyWroclawPoland

Our recent work on the electronic and optical properties of semiconductor and graphene quan- tum dots is reviewed. For strained self-assembled InAs quantum dots on GaAs or InP substrate atomic positions and strain distribution are described using valence-force field approach and con- tinuous elasticity theory. The strain is coupled with the effective mass, k ~ p, effective bond-orbital and atomistic tight-binding models for the description of the conduction and valence band states. The single-particle states are used as input to the calculation of optical properties, with electron- electron interactions included via configuration interaction （CI） method. This methodology is used to describe multiexciton complexes in quantum dot lasers, and in particular the hidden symmetry as the underlying principle of multiexciton energy levels, manipulating emission from biexcitons for entangled photon pairs, and optical control and detection of electron spins using gates. The self-assembled quantum dots are compared with graphene quantum dots, one carbon atom-thick nanostructures. It is shown that the control of size, shape and character of the edge of graphene dots allows to manipulate simultaneously the electronic, optical, and magnetic properties in a single material system.

关键词： quantum dots electronic structure multiexciton graphene magnetism

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