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   Unprecedented one-step CC bond cleavage leading to opening of the buckybowl (π-bowl), that could provide access to carbon-rich structures with previously inaccessible topologies, is reported; highlighting the possibility to implement drastically different synthetic routes to π-bowls in contrast to conventional ones applied for polycyclic aromatic hydrocarbons. Through theoretical modeling, we evaluated the mechanistic pathways feasible for π-bowl planarization and factors that could affect such a transformation including strain and released energies. Through employment of Marcus theory, optical spectroscopy, and crystallographic analysis, we estimated the possibility of charge transfer and electron coupling between “open” corannulene and a strong electron acceptor such as 7,7,8,8-tetracyanoquinodimethane. Alternative to a one-pot solid-state corannulene “unzipping” route, we reported a nine-step solution-based approach for preparation of novel planar “open” corannulene-based derivatives in which electronic structures and photophysical profiles were estimated through the energies and isosurfaces of the frontier natural transition orbitals. 

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5. In situ transmission electron microscopy investigation on 〈 c + a 〉 slip in Mg

   https://doi.org/10.1557/jmr.2018.487  

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   Recent molecular dynamics simulations revealed that 〈 c + a 〉 dislocations in Mg were prone to dissociation on the basal plane, thus becoming sessile. Basal dissociation of 〈 c + a 〉 dislocations is significant because it is a major factor in the limited ductility and high work-hardening in Mg. We report an in situ transmission electron microscopy study of the deformation process using an H-bar-shaped thin foil of Mg single crystal designed to facilitate 〈 c + a 〉 slip, observe 〈 c + a 〉 dislocation activity, and establish the validity of the largely immobile 〈 c + a 〉 dislocations caused by the predicted basal dissociation. In addition, through detailed observations on the fine movement of some 〈 c + a 〉 dislocations, it was revealed that limited bowing out movement for some non-basal portions of 〈 c + a 〉 dislocations was possible; under certain circumstances, i.e., through attraction and reaction between two 〈 c + a 〉 dislocations on the same pyramidal plane, at least portions of the sessile configuration were observed to be reversed into a glissile one. 

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