Boron: a Hunt for Superhard Polymorphs

Boron is a unique element, being the only element, all known polymorphs of which are superhard, and all of its crystal structures are distinct from any other element. The electron-deficient bonding in boron explains its remarkable sensitivity to even small concentrations of impurity atoms and allows boron to form peculiar chemical compounds with very different elements. These complications made the study of boron a great challenge, creating also a unique and instructive chapter in the history of science. Strange though it may sound, the discovery of boron in 1808 was ambiguous, with pure boron polymorphs established only starting from the 1950s-1970s, and only in 2007 was the stable phase at ambient conditions determined. The history of boron research from its discovery to the latest discoveries pertaining to the phase diagram of this element, the structure and stability of beta-boron, and establishment of a new high-pressure polymorph, gamma-boron, is reviewed

Removal of Boron from aqueous solutions by adsorption using fly ash, zeolite and demineralized lignite

In the present study for the purpose of removal of boron from water by adsorption using adsorbents like fly ash, natural zeolite and demineralized lignite was investigated. Boron in water was removed with fly ash, zeolite and demineralized lignite with different capacities. 94% boron was removed using fly ash. Batch experiments were conducted to test removal capacity, to obtain adsorption isotherms, thermodynamic and kinetic parameters. Boron removal by all adsorbents was affected by pH of solution; maximum adsorption was achieved at pH 10. Adsorption of boron on fly ash was investigated by Langmuir, Freundlich, Dubinin-Radushkevich models. Standard entropy and enthalpy changes of adsorption of boron on fly ash were, =S0 = -0.69 kJ/mol K and =H0 = -215.34 kJ/mol, respectively. The negative value of S0 indicated decreased randomness at the solid/solution interface during the adsorption boron on the fly ash sample. Negative values of H0 showed the exothermic nature of the process. The negative values of G0 implied that the adsorption of boron on fly ash samples was spontaneous. Adsorption of boron on fly ash occurred with a pseudo-second order kinetic model, intraparticle diffusion of boron species had also some effect in adsorption kinetics

Boron Fullerenes: A First-Principles Study

A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made. We show that the most stable boron sheets are not necessarily precursors of very stable boron cages. Our finding is a step forward in the understanding of the structure of the recently produced boron nanotubes.Comment: 10 pages, 4 figures, 1 tabl

Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets

We present a new class of boron sheets, composed of triangular and hexagonal motifs, that are more stable than structures considered to date and thus are likely to be the precursors of boron nanotubes. We describe a simple and clear picture of electronic bonding in boron sheets and highlight the importance of three-center bonding and its competition with two-center bonding, which can also explain the stability of recently discovered boron fullerenes. Our findings call for reconsideration of the literature on boron sheets, nanotubes, and clusters.Comment: 4 pages, 4 figures, 1 tabl

First Principles Simulations of Boron Diffusion in Graphite

Boron strongly modifies electronic and diffusion properties of graphite. We report the first ab initio study of boron interaction with the point defects in graphite, which includes structures, thermodynamics, and diffusion. A number of possible diffusion mechanisms of boron in graphite are suggested. We conclude that boron diffuses in graphite by a kick-out mechanism. This mechanism explains the common activation energy, but large magnitude difference, for the rate of boron diffusion parallel and perpendicular to the basal plane. © 2007 The American Physical Society