Spotlights Cite This: J. Phys. Chem. Lett. 2018, 9, 6377−6377
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Spotlights: Volume 9, Issue 21
J. Phys. Chem. Lett. 2018.9:6377-6377. Downloaded from pubs.acs.org by 185.252.219.97 on 11/12/18. For personal use only.
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CONTROLLED MOLECULAR ASSEMBLY VIA DYNAMIC CONFINEMENT OF SOLVENT Molecules have no trouble arranging themselves, but controlling molecular assembly in the laboratory is another story. Molecular self-assembly has been studied and described by countless researchers, and advances have been made in the quest to assemble molecules into mesoscale structures by design, but many challenges remain. In their Letter, Zhang et al. (10.1021/acs.jpclett.8b02442) describe their attempt to control the assembly of polymeric nanoparticles at the molecular level using a microfluidic probe in an atomic force microscope. Their findings show that evaporation of subfemtoliter aqueous droplets leads to assembly of solutes that significantly differs from that of larger droplets. The authors were able to control the final molecular assembly in terms of feature geometry and distribution and packing of individual molecules within the features, producing disks, mounds, and asymmetric geometries. Because controlling the initial droplet and solute distribution is more achievable and programmable, the findings could lead to advances in programmable chemistry, 3D nanoprinting, and materials science.
largely unknown. Mamme et al. (10.1021/acs.jpclett.8b01718) used atomistic molecular dynamics to study the interfacial behavior of a choline chloride−urea DES at a polarized graphene electrode. In their study, the authors focused on the intrinsic mechanism and physics behind the electrosorption of the hydrogen bond donor molecule and were surprised to find that the electrochemical interface is composed of a mixed layer followed by clustered structuring, regardless of the magnitude of the surface polarization. The authors identify two factors that govern and tune the interfacial structure: intermolecular interactions and the applied surface polarization. Their results could support the advent of a new generation of green electrolytes whose interfacial structure can be tuned in the nanoscale.
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HIGH-THROUGHPUT SCREENING AND AUTOMATED PROCESSING TOWARD NOVEL TOPOLOGICAL INSULATORS Topological insulators have enormous potential in devices because they both insulate and conduct, but the identification of specific topological insulators seems to have hit a bottleneck. Researchers generally use time-consuming trial-and-error procedures to identify these materials, slowing down the development of practical devices. Zhang et al. (10.1021/ acs.jpclett.8b02800) note that advances in computing technology enable high-throughput methods based on massive first-principles calculations, which provide a promising framework for discovering new functional materials. Starting from crystal structures, the authors implemented an algorithm to construct maximally localized Wannier functions in an automated way and to characterize the topological properties, e.g., the topological invariants and topological surface states. They carried out calculations on ternary compounds of Bi, Sb, and nitrides as representative classes, leading to a prediction of seven novel topological materials. The methodology is applicable for all materials where the bulk-boundary correspondence is valid and may enable the characterization and design of further topological materials in a high-throughput way.
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ATOMISTIC INSIGHT INTO THE ELECTROCHEMICAL DOUBLE LAYER OF CHOLINE CHLORIDE−UREA DEEP EUTECTIC SOLVENTS: CLUSTERED INTERFACIAL STRUCTURING Green, stable, and wide electrochemical window deep eutectic solvents (DESs) are ideal candidates for many electrochemical systems, but their widespread use is hindered by the fact that their structure and properties under electrified confinement are © 2018 American Chemical Society
Published: November 1, 2018 6377
DOI: 10.1021/acs.jpclett.8b03236 J. Phys. Chem. Lett. 2018, 9, 6377−6377
