Ultrathin two-dimensional nanosheets of layered transition metal dichalcogenides (TMDs) are fundamentally and technologically intriguing. In contrast to the graphene sheet, they are chemically versatile. Mono- or few-layered TMDs - obtained either through exfoliation of bulk materials or bottom-up syntheses - are direct-gap semiconductors whose bandgap energy, as well as carrier type (n- or p-t...

Transition metal carbides and nitrides have received a large amount of attention in chemistry and materials science due to their interesting properties and potential to substitute precious metal catalysts. Earthabundant early transition metal carbides and nitrides were the primary focus of many efforts, while late transition metal alternatives are less explored. This brief review discusses rece...

Current interest in two-dimensional (2D) materials is driven in part by the ability to dramatically alter their optoelectronic properties through strain and phase engineering. A combination of these approaches can be applied in quasi-2D transition metal dichalcogenide (TMD) monolayers to induce displacive structural transformations between semiconducting (H) and metallic/semimetallic (T') phase...

Transition metal dichalcogenides (TMDs) represent a family of materials with versatile electronic, optical, and chemical properties. Most TMD bulk crystals are van der Waals solids with strong bonding within the plane but weak interlayer bonding. The individual layers can be readily isolated. Single layer TMDs possess intriguing properties that are ideal for both fundamental and technologically...

We present a systematic density-functional study of phase relations in three 4d-transition-metal sesquioxides: Y2O3, Rh2O3, and In2O3. Y2O3 and In2O3 undergo pressure-induced transitions to phases with larger cation coordination number (from 6 to 7) at low pressures. However, this does not occur in Rh2O3 at least up to *300 GPa. This cannot be explained by usual arguments based on ionic-radii r...

Many fluorescent proteins have been created to act as genetically encoded biosensors. With these sensors, changes in fluorescence report on chemical states in living cells. Transition metal ions such as copper, nickel, and zinc are crucial in many physiological and pathophysiological pathways. Here, we engineered a spectral series of optimized transition metal ion-binding fluorescent proteins t...

In this work, we present frozen phonon and linear response ab-initio research into the vibrational properties of the CuGaS2 chalcopyrite and transition metal substituted (CuGaS2)M alloys. These systems are potential candidates for developing a novel solar-cell material with enhanced optoelectronic properties based in the implementation of the intermediate-band concept. We have previously carrie...

salicylic acid-formaldehyde-m-cresol (sfm) terpolymer had been synthesized in dmf media by conventional method. the resulting resin had been characterized by ftir spectra, elemental and thermogravimetric analyses. the morphology of sfm resin had been studied by sem and optical photograph. various parameters like rate of equilibration, effect of ph on ion exchange capacity and effect of concentr...

in this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. the chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. a comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...

abstract: two new transition metal complexes, containing the acidic ligand 5-chlorosalicylic acid (h2l5), and 1,10-phenanthroline（phen） and 1,3-di(4-pyridyl)propane (bpp) as secondary ligands are reported. they are formulated as {[pb(hl5)2(phen)(h2o)]·h2o}n(1), [zn2(hl5)4(bpp)2]n(2). all the complexes are characterized by single-crystal x-ray diffractions. compoud 1 crystallizes in the triclini...