A growth model is proposed for the large-area and uniform MoS2 film grown by using sulfurization of pre-deposited Mo films on sapphire substrates. During the sulfurization procedure, the competition between the two mechanisms of the Mo oxide segregation to form small clusters and the sulfurization reaction to form planar MoS2 film is determined by the amount of background sulfur. Small Mo oxide...

A novel transition metal polyoxotungstate, [Cu(H2O)6][{Cu(H2O)2}2{Cu(H2O)4H4W12O42}] · 12H2O (1), has been synthesized in aqueous solution and characterized by single-crystal X-ray diffraction, elemental analysis, IR and UV/vis spectroscopy, and TG analysis. The paradodecatungstate anions [H2W12O42]10− are linked by CuO6 octahedra, forming a three-dimensional (3D) structure. The magnetic suscep...

Dynamic control of conductivity and optical properties via atomic structure changes is of technological importance in information storage. Energy consumption considerations provide a driving force towards employing thin materials in devices. Monolayer transition metal dichalcogenides are nearly atomically thin materials that can exist in multiple crystal structures, each with distinct electrica...

The preparation of a family of bis(imido) uranium(VI) complexes stabilized by mono- and bidentate pyrrolyl ancillary ligands is described. X-ray crystallographic studies of dipyrrolylmethane (dpm) derivatives show that the pyrrolyl coordination mode in these uranium(VI) ions is unexpected in comparison to analogous transition metal and lanthanide chemistry. The ability of the coordinated pyrrol...

We propose a continuum representation of the dynamical mean field theory, in which we were able to derive an exact overlap between the dynamical mean field theory and band structure methods, such as the density functional theory; double counting. The implementation of this exact double counting shows improved agreement between the theory and experiment in several correlated solids, such as the ...

Liquid-liquid transitions under high pressure are found in many elemental materials, but the transitions are known to be associated with either sp-valent materials or f-valent rare-earth elements, in which the maximum or a negative slope in the melting line is readily suggestive of the transition. Here we find a liquid-liquid transition with a positive melting slope in transition metal Ti from ...

Controlling phase transitions through local strain engineering is an exciting avenue for tailoring the electronic and magnetic properties of materials at the nanoscale. Herein, we demonstrate a tunable semiconducting to metallic phase transition of two-dimensional transition metal dichalcogenides using strain engineering through rolled up MoS2 sheets (named as MoS2 scrolls). A phase incorporate...

The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (+/-1 kcal mol-1) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species. The training set includes a variety of metals, ligands, and bonding types. Using the correlation consistent basis sets...

The 2H-to-1T' phase transition in transition metal dichalcogenides (TMDs) has been exploited to phase-engineer TMDs for applications in which the metallicity of the 1T' phase is beneficial. However, phase-engineered 1T'-TMDs are metastable; thus, stabilization of the 1T' phase remains an important challenge to overcome before its properties can be exploited. Herein, we performed a systematic st...

The determination of formation constants of binary inner transition metal complexes where M=Y(III) or La(III) or Ce(III) or Pr(III) or Nd(III) or Sm (III) or Gd (III) or Dy (III) or Th(IV) andL = Creatinine have been carried out using Irving–Rossotti titration technique in aqueous mediaat different temperatures and at ionic strength. To understand more about the nature ofequilibrium involving i...