Related papers: A facile route to synthesize cubic gauche polymeri…
Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived material with a C2N stoichiometry and evenly distributed holes and nitrogen atoms in its basal plane, has recently been synthesized. We performed first principles…
New ternary Mg-Ni-Mn intermetallics have been successfully synthesized by High Energy Ball Milling (HEBM) and have been studied as possible materials for efficient hydrogen storage applications. The microstructures of the as-cast and milled…
We report on the superconducting properties of molybdenum nitride thin films grown by reactive DC sputtering at room temperature with a N2:Ar mixture. Thin films grown using 5 % N2 concentration display Tc = 8 K, which is gradually reduced…
In this research, the ambient cured one part alkali activated material (AAM) containing graphene nanoplatelets (GNPs), fly ash, slag and silica fume has been investigated after high temperature exposure to 200 to 800oC. Their compressive…
Using argon as the working fluid in an internal combustion engine holds the potential of substantially enhancing thermal efficiency because of its high specific heat ratio. Burning hydrogen, not with air but with pure oxygen, in a…
Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found…
The extreme instability and strong chemical activity of carbyne, the infinite sp1 hybridized carbon chain, are responsible for its low possibility to survive in ambient conditions. Therefore, much less has been possible to explore about…
A novel nanostructured cemented carbide formed from WC-5%Co-20%BNi2 brazing alloy is described. During sintering, the BNi2 alloy is infiltrated into a green compact of WC-5%Co at 1050-1100 {\deg}C for 2-60 minutes. Perfect wetting behavior…
A key challenge in materials discovery is to find high-temperature superconductors. Hydrogen and hydride materials have long been considered promising materials displaying conventional phonon-mediated superconductivity. However, the high…
Cryptomelane has been widely applied as catalyst in oxidation reactions due to its excellent redox properties and low cost. Here, a novel one-pot hydrothermal synthesis using a potassium permanganate aqueous solution as precursor and…
A high temperature for some catalytic reactions like synthesis of large area and high quality graphene is required. The mentioned graphene can be obtained by a chemical vapour deposition (CVD) process on copper foil at 800 1000. Here, we…
We report energy estimated to dissociate a C-C bond of a graphene sheet to form nanoribbons of armchair and zigzag configurations using first principles calculations. For the ground state energy calculations, the configurations considered…
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…
The synthesis of hexazine N_{6} ring is another milestone in nitrogen chemistry after that of aromatic [N_{5}]^{-} anion. However, due to the diversity of carried charges, realizing compounds entirely composed of aromatic hexazine N_{6}…
Boron nitride (BN) is a material with outstanding technological promise because of its exceptional thermochemical stability, structural, electronic and thermal conductivity properties, and extreme hardness. Yet, the relative thermodynamic…
Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the…
The two-dimensional rare-earth tri-tellurides undergo a unidirectional charge-density-wave (CDW) transition at high temperature and, for the heaviest members of the series, a bidirectional one at low temperature. Raman scattering…
Aligned graphene nanoribbon (GNR) arrays were made by unzipping of aligned single-walled and few-walled carbon nanotube (CNT) arrays. Nanotube unzipping was achieved by a polymer-protected Ar plasma etching method, and the resulting…
This paper presents a modeling study of the oxidation of cyclohexane from low to intermediate temperature (650-1050 K), including the negative temperature coefficient (NTC) zone. A detailed kinetic mechanism has been developed using…
Graphene has recently attracted a great deal of interest in both academia and industry because of its unique electronic and optical properties [1,2], as well as its chemical, thermal, and mechanical properties. The superb characteristics of…