Enhancing the Photovoltaic Performance of Ladder‐Type Heteroheptacene‐based Nonfullerene Acceptors by Incorporating Halogen Atoms on Their Ending Groups
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DOI: 10.1002/adfm.202010436
Abstract: Ending group halogenation is an effective strategy for modulating the energy levels, bandgaps, and intermolecular interactions of nonfullerene acceptors. Understanding the influence of different halogen atoms on the acceptor properties is of great importance for… read more here.
Keywords: halogen atoms; performance; nonfullerene acceptors; ending groups ... See more keywords
Ultrahigh anisotropic carrier mobility in ZnSb monolayers functionalized with halogen atoms
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra04782a
Abstract: The experimental fabrication of novel two-dimensional ZnSb inspires us to explore the tunability of its fundamental physical properties. In this work, we present the density functional theory simulations on the mechanical, electronic and transport properties… read more here.
Keywords: monolayers functionalized; halogen atoms; mobility; znsb monolayers ... See more keywords
σ-Holes vs. Buildups of Electronic Density on the Extensions of Bonds to Halogen Atoms
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DOI: 10.3390/inorganics7060071
Abstract: Our discussion focuses upon three possible features that a bonded halogen atom may exhibit on its outer side, on the extension of the bond. These are (1) a region of lower electronic density (a σ-hole)… read more here.
Keywords: holes buildups; electrostatic potential; density; electronic density ... See more keywords
Experimental and DFT Study of the Photoluminescent Green Emission Band of Halogenated (−F, −Cl, and −Br) Imines
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DOI: 10.3390/molecules24183304
Abstract: The morphological, optical, and structural changes in crystalline chiral imines derived from 2-naphthaldehyde as a result of changing the −F, −Cl, and −Br halogen (−X) atoms are reported. Scanning electron microscopy (SEM), optical absorption, photoluminescence… read more here.
Keywords: green emission; emission band; halogen atoms; optical structural ... See more keywords