Learn More
Using the first-principles calypso algorithm for crystal structure prediction, we have predicted two orthorhombic Cmcm and Amm2 structures of ZrB4, which are energetically much superior to the previously proposed WB4-, CrB4-, and MoB4-type structures and stable against decompression into a mixture of Zr and B at ambient pressure. The two orthorhombic(More)
ZnO, aside from TiO2, has been considered as a promising material for purification and disinfection of water and air, and remediation of hazardous waste, owing to its high activity, environment-friendly feature and lower cost. However, their poor visible light utilization greatly limited their practical applications. Herein, we demonstrate the fabrication(More)
We report on the prediction of the zinc-blende structure BP into a novel C2/m phase from 113 to 208 GPa which possesses zigzag phosphorus chain structure, followed by another P42/mnm structure above 208 GPa above using the particle-swarm search method. Strong electron-phonon coupling λ in compressed BP is found, in particular for C2/m phase with the zigzag(More)
Electroplated hard chrome coating is widely used as a wear resistant coating to prolong the life of mechanical components. However, the electroplating process generates hexavalent chromium ion which is known carcinogen. Hence, there is a major effort throughout the electroplating industry to replace hard chrome coating. Composite coating has been identified(More)
In this study, pure ZnO, CeO2 and ZnO/CeO2 nanocomposites were synthesized using a thermal decomposition method and subsequently characterized using different standard techniques. High-resolution X-ray photoelectron spectroscopy measurements confirmed the oxidation states and presence of Zn(2+), Ce(4+), Ce(3+) and different bonded oxygen species in the(More)
A sapphire anvil cell, a portable system having a sample volume of about 400 mm(3) (Phi8x8 mm), has been developed for gas hydrates research under high pressure. As both pressure and temperature of the sample can be precisely monitored in real time, the system has significant advantages for gas hydrates research at the pressure range of 1-40 MPa and(More)
This paper presents a multi-objective optimal power flow model of multiple-energy system, helping to achieve more comprehensive and efficient use of energy and multiple-energy input to reduce costs. In response, this paper bases on energy hub (EH) model considering the electric, gas, wind input. Then, the constraints of the power network, the natural gas(More)
Cubic (space group: Fmm) iridium phosphide, Ir2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B0 = 306(6) GPa and its pressure derivative B0' = 6.4(5). Such a(More)
  • 1