In this study, we employed the density functional theory method to simulate Li-, Na- and K-adsorbed boron α1-sheets（al-BSTs）. After optimizing possible structures, we investigated their thermodynamic stabilities, b...In this study, we employed the density functional theory method to simulate Li-, Na- and K-adsorbed boron α1-sheets（al-BSTs）. After optimizing possible structures, we investigated their thermodynamic stabilities, barriers for metal atom diffusion on the substrate, and work functions. The computed results indicate that the work function of α1-BST decreases significantly after the adsorption of Li, Na and K. Furthermore, under high hole coverage, these alkali-metal-adsorbed α1-BSTs have lower work functions than the two-dimensional materials of greatest concern and the commonly used electrode materials Ca and Mg. Therefore, the Li-, Na- and K-adsorbed α1-BSTs are potential low-work-function nanomaterials.展开更多
Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol ...Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol system. Gas chromatography–mass spectrometry, proton nuclear magnetic resonance and ^(13) C nuclear magnetic resonance analysis confirmed dimer, trimer and tetramer structures of PAO. Each component contained branched chains with a 1,2 insertion of a head-to-tail link; a 2,1 insertion of a tail-to-tail link and a methyl-containing linked structure. At a low conversion rate, the reaction rate was related directly with the reaction temperature and the catalyst/1-decene concentration. An apparent kinetic equation for PAO formation was determined during 1-decene polymerization.展开更多
The effect of boron content on grain refinement of commercially pure aluminum by Al-5Ti-1B was quantitatively assessed.When the boron content is less than 0.03 wt.%,the refining performance of Al-5Ti-1B gradually is w...The effect of boron content on grain refinement of commercially pure aluminum by Al-5Ti-1B was quantitatively assessed.When the boron content is less than 0.03 wt.%,the refining performance of Al-5Ti-1B gradually is weakened as the boron content increases,which is attributed to the reaction of boron with the Al_(3)Ti interlayer on TiB_(2)and the consumption of solute Ti.On the contrary,when the boron content exceeds 0.03 wt.%,the refining performance of Al-5Ti-1B gradually recovers with increasing boron content,which is related to the formation of primary AlB_(2)particles that provide additional nucleant substrates.展开更多
基金Supported by the National Natural Science Foundation of China（Nos.21173072, 21601054）.
文摘In this study, we employed the density functional theory method to simulate Li-, Na- and K-adsorbed boron α1-sheets（al-BSTs）. After optimizing possible structures, we investigated their thermodynamic stabilities, barriers for metal atom diffusion on the substrate, and work functions. The computed results indicate that the work function of α1-BST decreases significantly after the adsorption of Li, Na and K. Furthermore, under high hole coverage, these alkali-metal-adsorbed α1-BSTs have lower work functions than the two-dimensional materials of greatest concern and the commonly used electrode materials Ca and Mg. Therefore, the Li-, Na- and K-adsorbed α1-BSTs are potential low-work-function nanomaterials.
基金supported by the Natural Science Foundation of China(21576048)the PetroChina Innovation Foundation(2014D-5006-0503)
文摘Poly-α-olefin(PAO) synthetic oil is the base oil of high-quality lubricants, and has a huge market potential.We illustrate PAO synthesis by catalytic polymerization of 1-decene with a boron trifluoride(BF_3)/alcohol system. Gas chromatography–mass spectrometry, proton nuclear magnetic resonance and ^(13) C nuclear magnetic resonance analysis confirmed dimer, trimer and tetramer structures of PAO. Each component contained branched chains with a 1,2 insertion of a head-to-tail link; a 2,1 insertion of a tail-to-tail link and a methyl-containing linked structure. At a low conversion rate, the reaction rate was related directly with the reaction temperature and the catalyst/1-decene concentration. An apparent kinetic equation for PAO formation was determined during 1-decene polymerization.
基金the financial supports from the National Natural Science Foundation of China(Nos.U1832183,52090042,51821001)。
文摘The effect of boron content on grain refinement of commercially pure aluminum by Al-5Ti-1B was quantitatively assessed.When the boron content is less than 0.03 wt.%,the refining performance of Al-5Ti-1B gradually is weakened as the boron content increases,which is attributed to the reaction of boron with the Al_(3)Ti interlayer on TiB_(2)and the consumption of solute Ti.On the contrary,when the boron content exceeds 0.03 wt.%,the refining performance of Al-5Ti-1B gradually recovers with increasing boron content,which is related to the formation of primary AlB_(2)particles that provide additional nucleant substrates.
