Ni-W-P composite coatings reinforced by Ce O2 and Si O2 nano-particles on the surface of common carbon steels, were prepared by double pulse electrodeposition. The crystallization course was characterized by phase str...Ni-W-P composite coatings reinforced by Ce O2 and Si O2 nano-particles on the surface of common carbon steels, were prepared by double pulse electrodeposition. The crystallization course was characterized by phase structures, crystallinity, grain sizes and microstructures. The results indicate that as-deposited composite coating is amorphous. Whereas it turns into the crystalline structure with 98.25% crystallinity, and Ni3 P, Ni2 P and Ni5P2 alloy phases precipitate from structures at 400 °C. Thereafter, Ni2 P and Ni5P2 metastable alloy phases turn into Ni3 P stable alloy phase at 500 °C. The crystallization course of the composite coating has finished when being heat-treated at 700 °C. The average sizes of Ni grains increase with the rise of heat treatment temperature from400 °C to 700 °C. Ce O2 and Si O2 nano-particles deposited into Ni-W-P alloys can delay the crystallization course and habit the growth of alloy phases.展开更多
We predict a series of new two-dimensional(2D) inorganic materials made of silicon and carbon elements(2D SixC1?x) based on density functional theory. Our calculations on optimized structure, phonon dispersion, and fi...We predict a series of new two-dimensional(2D) inorganic materials made of silicon and carbon elements(2D SixC1?x) based on density functional theory. Our calculations on optimized structure, phonon dispersion, and finite temperature molecular dynamics confirm the stability of 2D SixC1?x sheets in a two-dimensional, graphene-like, honeycomb lattice. The electronic band gaps vary from zero to 2.5 e V as the ratio x changes in 2D SixC1?x changes, suggesting a versatile electronic structure in these sheets. Interestingly, among these structures Si0.25C0.75 and Si0.75C0.25 with graphene-like superlattices are semimetals with zero band gap as their ? and ?* bands cross linearly at the Fermi level. Atomic structural searches based on particle-swarm optimization show that the ordered 2D SixC1?x structures are energetically favorable. Optical absorption calculations demonstrate that the 2D silicon-carbon hybrid materials have strong photoabsorption in visible light region, which hold promising potential in photovoltaic applications. Such unique electronic and optical properties in 2D SixC1?x have profound implications in nanoelectronic and photovoltaic device applications.展开更多
基金Project(20806035)supported by the National Natural Science Foundation of ChinaProject(2009CI026)supported by the Back-up Personnel Foundation of Academic and Technology Leaders of Yunnan Province,ChinaProject(KKZ6200927001)supported by the Opening Fund of Key Laboratory of Inorganic Coating Materials,Chinese Academy of Sciences
文摘Ni-W-P composite coatings reinforced by Ce O2 and Si O2 nano-particles on the surface of common carbon steels, were prepared by double pulse electrodeposition. The crystallization course was characterized by phase structures, crystallinity, grain sizes and microstructures. The results indicate that as-deposited composite coating is amorphous. Whereas it turns into the crystalline structure with 98.25% crystallinity, and Ni3 P, Ni2 P and Ni5P2 alloy phases precipitate from structures at 400 °C. Thereafter, Ni2 P and Ni5P2 metastable alloy phases turn into Ni3 P stable alloy phase at 500 °C. The crystallization course of the composite coating has finished when being heat-treated at 700 °C. The average sizes of Ni grains increase with the rise of heat treatment temperature from400 °C to 700 °C. Ce O2 and Si O2 nano-particles deposited into Ni-W-P alloys can delay the crystallization course and habit the growth of alloy phases.
基金supported by Ministry of Science and Technology(Grant No.2012CB921403)the National Natural Science Foundation of China(Grant Nos.11304176 and 11334011)"Strategic Priority Research Program B"of the Chinese Academy of Sciences(Grant No.XDB07030100)
文摘We predict a series of new two-dimensional(2D) inorganic materials made of silicon and carbon elements(2D SixC1?x) based on density functional theory. Our calculations on optimized structure, phonon dispersion, and finite temperature molecular dynamics confirm the stability of 2D SixC1?x sheets in a two-dimensional, graphene-like, honeycomb lattice. The electronic band gaps vary from zero to 2.5 e V as the ratio x changes in 2D SixC1?x changes, suggesting a versatile electronic structure in these sheets. Interestingly, among these structures Si0.25C0.75 and Si0.75C0.25 with graphene-like superlattices are semimetals with zero band gap as their ? and ?* bands cross linearly at the Fermi level. Atomic structural searches based on particle-swarm optimization show that the ordered 2D SixC1?x structures are energetically favorable. Optical absorption calculations demonstrate that the 2D silicon-carbon hybrid materials have strong photoabsorption in visible light region, which hold promising potential in photovoltaic applications. Such unique electronic and optical properties in 2D SixC1?x have profound implications in nanoelectronic and photovoltaic device applications.
