Spotlights Cite This: J. Phys. Chem. Lett. 2018, 9, 6926−6926
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Spotlights: Volume 9, Issue 23
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indicate that bPNSs are strong candidates for application in high-performance electronic and optoelectronic devices. In addition, bPNSs exhibit excellent environmental stability derived from their unique band edge and self-encapsulated morphology, which could make them useful in increasing the environmental stability of other 2D materials.
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anotechnology has given birth to a wealth of nanovocabulary. From nanotubes and nanoclusters to nanocones and nanoscrolls, the terms have a playful ring to them, as if a tiny planner could throw quite a nanoparty by adding a few nanoribbons. For scientists working at the nano level, some of the research focus is shifting from size to shape and flexibility, as shown in several Letters in this issue of The Journal of Physical Chemistry Letters.
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RETHINKING HETEROMETAL DOPING IN LIGAND-PROTECTED METAL NANOCLUSTERS Heterometal doping is a promising avenue for tailoring properties of ligand-protected metal nanoclusters for specific applications, but much remains unknown, e.g., the underlying reasons for dopant preference on occupying specific locations on the nanocluster with different concentrations. Because dopant position and concentration determine the properties of a nanocluster, it is crucial for researchers to be able to accurately predict these parameters. Taylor and Mpourmpakis (10.1021/acs.jpclett.8b02679) used their thermodynamic stability model (TSM), which was originally developed for ligand-protected monometallic nanoclusters, to rationalize the synthetic accessibility, dopant location, and concentrations of various heterometals on ligand-protected Au nanoclusters. The authors report that the computational predictions were in agreement with experimental results, suggesting that the thermodynamic stability theory could open new avenues for bimetallic nanocluster prediction and discovery.
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UNRAVELLING THE ROLE OF TOPOLOGICAL DEFECTS ON CATALYTIC UNZIPPING OF SINGLE-WALLED CARBON NANOTUBES BY SINGLE TRANSITION METAL ATOM High-quality graphene nanoribbons (GNRs) with controlled width and defined smooth edges are highly desired for many advanced applications, but mass production of GNRs remains a challenge. Recent experimental studies have shown that a single Fe atom can act as a highly efficient catalyst for the catalytic graphene growth and unzipping/etching, so Ma and Zeng (10.1021/acs.jpclett.8b03225) theoretically explored the atomic-level mechanism of single Fe-atom catalytic unzipping of single-walled carbon nanotubes (SWCNTs) with the presence of topological defects in hydrogen gas. They found that the curvature energy released during the unzipping of a SWCNT not only serves as the main energy source to support the continuous unzipping but also enables the chirality- and diameter-dependent unzipping behaviors. The site-selective tear-from-end-defect mechanism can trigger and facilitate the fast catalytic unzipping of SWCNTs into GNRs at a moderate temperature. This atomic-level insight into the roles of topological defects in the transition metal catalytic unzipping of a SWCNT could inform future experimental design of catalytic unzipping of a SWCNT with improved controllability.
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HIGHLY PROMOTED CARRIER MOBILITY AND INTRINSIC STABILITY BY ROLLING UP MONOLAYER BLACK PHOSPHORUS INTO NANOSCROLLS Two-dimensional materials rolled into nanoscrolls can retain the properties of their 2D hosts but also display intriguing physical and chemical properties that arise from their onedimensional tubular structure, which resembles a hybrid between a thin film and a nanotube. Black phosphorus (bP) has attracted worldwide interest as a new 2D material because of its electronic properties. Wang et al. (10.1021/acs.jpclett.8b02913) studied bP nanoscrolls (bPNSs) and report several interesting findings. The authors report that bPNSs are energetically more favorable than monolayer bPs, indicating an exothermic nucleation of a scroll, and they used ab initio molecular dynamics (AIMD) simulations to confirm the thermal stability under room temperature. They also found that bPNSs are all semiconductors with a direct band gap, which can be tuned by adjusting either the radius or width, and that the hole mobility of double-layer bPNS is approximately 20-fold greater than that of a 2D bP sheet. The findings © 2018 American Chemical Society
Published: December 6, 2018 6926
DOI: 10.1021/acs.jpclett.8b03570 J. Phys. Chem. Lett. 2018, 9, 6926−6926
