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Structural Design and Physical Properties ... - pubs.acs.org

Polymeric nitrogen at high pressures has been proven to be a promising candidate for the design and discovery of high-energy-density materials as well as hard materials. Here, we report predicted high-pressure structures and physical properties of gallium nitrides using an effective unbiased structure searching method combined with first-principles calculations. Several …

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Spatiotemporal Trends of Legacy and ... - pubs.acs.org

Temporal trends of polybrominated diphenyl ethers (PBDEs) have been extensively studied in various environmental compartments globally. However, despite the increasing use of alternative flame retardants following PBDE bans, the spatiotemporal trends of these replacements have rarely been studied, and the available results are often inconsistent. In the present study, we …

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Molecular Structure and Sulfur Content ... - pubs.acs.org

Sulfidized nanoscale zerovalent iron (SNZVI) with desirable properties and reactivity has recently emerged as a promising groundwater remediation agent. However, little information is available on how the molecular structure of chlorinated ethenes (CEs) affects their dechlorination by SNZVI or whether the sulfur content of SNZVI can alter their dechlorination pathway and reactivity. …

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Electronic Structure and Spectroscopy of I ... - pubs.acs.org

I–III–VI2 semiconductor nanocrystals have been applied to a host of energy conversion devices with great success. Large scale implementation of device concepts based on these materials has, however, been somewhat stymied by the strong role of defects in determining the optoelectronic characteristics of these materials. Here we present a perspective view of the role of electronic …

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Supporting Information - pubs.acs.org

Email: [email protected], [email protected]. S-2 Supplementary Text The asymmetric conduction of the nano-island edges. As shown in Figure S6, the conduction for the edges gradually increases with the increasing applied voltage. Thus, for the large electric voltage (see Figure S6(c)), the four edges of the nano-islands are conducting, as shown in the nano …

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Atomic Scale Control of Spin Current ... - pubs.acs.org

Ferromagnet/heavy metal bilayers represent a central building block for spintronic devices where the magnetization of the ferromagnet can be controlled by spin currents generated in the heavy metal. The efficiency of spin current generation is paramount. Equally important is the efficient transfer of this spin current across the ferromagnet/heavy metal interface. Here, we show …

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Supporting Information - pubs.acs.org

Matt C. Beard (email: [email protected]) Xihan Chen (email: [email protected]) S2 Exciton binding energy extraction using 2D Elliot’s formula The linear absorption spectra can be modelled with generalized Elliot’s formula taken in the form of:3 where, , is a broadening parameter, A and B are the relative amplitudes of the exciton and free carrier absorptions and …

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View Virtual Issues from the Journal of the American Chemical Society. Celebrating 140 Years JACS Timeline. Explore, Discover, and Share the very best in original fundamental research in all areas of the chemical and molecular sciences. View the JACS Timeline. Quick Links. Editorials. Current Issue. The latest published issue of Journal of the American Chemical Society. See …

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Correction to Gold Nanorods/Metal–Organic ... - pubs.acs.org

Correction to Gold Nanorods/Metal–Organic Framework Hybrids: Photo-Enhanced Peroxidase-Like Activity and SERS Performance for Organic Dyestuff Degradation and Detection

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