相关论文: Novel Tungsten Triboride

Two-dimensional systems have strengthened their position as one of the key materials for novel applications. Very recently, boron joined the distinguished group of elements that are confirmed to possess 2D allotropes, named borophenes. In…

By means of variable-composition evolutionary algorithm coupled with density functional theory and in combination with aberration-corrected high-resolution transmission electron microscopy experiments, we have studied and characterized the…

Transition metal nitrides have been suggested to have both high hardness and good thermal stability with large potential application value, but so far stable superhard transition metal nitrides have not been synthesized. Here, with our…

Six high-entropy rare earth tetraborides of the tetragonal UB4-prototyped structure have been successfully synthesized for the first time. The specimens are prepared from elemental precursors via high-energy ball mill and in-situ reactive…

By electron and X-ray diffraction we establish that the CrB$_4$ compound discovered over 40 years ago crystallizes in the $oP10$ (\emph{Pnnm}) structure, in disagreement with previous experiments but in agreement with a recent…

The binary metal borides provide a promising platform for searching unique materials with superconductivity and super-hardness under high pressure, owing to the distinctive bonding characters of boron. In this work, combined the…

8K superconductivity was observed in the metal rich Li-Pd-B ternary system. Structural, microstructural, electrical and magnetic investigations for various compositions proved that Li2Pd3B compound, which has a cubic structure composed of…

A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1)A, b=6.4519(2)A, c=7.2356(2)A, space group P-1, no.2) was synthesized employing high pressure technique. Its structure was determined…

Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions…

Recently the kagome compounds have inspired enormous interest and made some great progress such as in the field of superconductivity and topology. Here we predict a different kagome magnesium triboride (MgB3) superconductor with a…

The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…

Single-phase high-entropy monoborides (HEMBs) of the CrB prototype structure have been synthesized for the first time. Reactive spark plasma sintering of ball milled mixtures of elemental precursor powders produced bulk…

The Vickers hardness of polycrystalline {\gamma}-B was measured using a diamond indentation method. The elastic properties of polycrystalline {\gamma}-B (B=213.9 GPa, G=227.2 GPa, and E=503.3 GPa) were determined using ultrasonic…

A new ultra-hard rhombohedral carbon rh-C4 (or hexagonal h-C12) is reported as derived from 3R graphite through crystal chemistry construction and ground state energy within the density functional theory. An extended hexagonal…

Based on crystal chemistry considerations and quantum density functional theory ground state calculations, rhombohedral rh-C3 and hexagonal h-C6 carbon allotropes are proposed and energetically calculated as new stable ultra-hard phases…

A new organic superconductor, possibly with formula $K_3$ p-terphenyl, has been discovered by Wang, Gao, Huang and Chen, reaching a very high $T_c$ of about 120~K. Besides a clear diamagnetic signal, most other details such as stoichiometry…

The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and $c$-BN, such as metal borides. In this Letter we introduce a new family of superhard materials, "fused…

A hexagonal structure of solid molecular hydrogen with $P6_122$ symmetry is calculated to be more stable below about 200 GPa than the monoclinic $C2/c$ structure identified previously as the best candidate for phase III. We find that the…

For the first time, a group of CaB6-typed cubic rare earth high-entropy hexaborides have been successfully fabricated into dense bulk pellets (>98.5% in relative densities). The specimens are prepared from elemental precursors via in-situ…

Superstructures of cubic and hexagonal diamonds (h- and c-diamond) comprising a family of stable diamond-like $sp^3$ hybridized novel carbon allotropes are proposed, which are referred to as U$_n$-carbon where $n \geq 2$ denotes the number…