The 5-parameter Morse potential（5-MP） of the interactions between Cl atoms and Ni surfaces was constructed. The adsorption and diffusion of Cl atoms on Ni low index-surfaces were investigated with 5-MP in detail. Al...The 5-parameter Morse potential（5-MP） of the interactions between Cl atoms and Ni surfaces was constructed. The adsorption and diffusion of Cl atoms on Ni low index-surfaces were investigated with 5-MP in detail. All the critical characteristics of the system, such as adsorption site, adsorption geometry, binding energy, eigenvalues for vibration, etc. were obtained. The calculated results show that chlorine atoms are likely to be adsorbed on the high symmetry- sites. Cl atoms locate on the four-fold hollow sites of the intact Ni（100） surface, while they tend to occupy threefold sites on the Ni（ 111 ） surface. The four-fold hollow sites are the most stable adsorption sites on the Ni （110） surface for Cl, although the three-fold sites and the long-bridge sites are stable adsorption sites on the Ni（110） surface for the atoms of the first and second periods. For the Cl-Ni surface adsorption system, the surface binding energy of a Cl atom is relevant to the coarse degree of the cluster surface, and the binding energies have an order of Ni （ 111 ） 〈 Ni（100） 〈Ni（100）.展开更多
Zn plays an important role in the protection of iron and steel from corrosion in sea water, and the alloying of Zn and Ni can improve its corrosion resistance. The corrosion behavior of Zn？Ni alloys in synthetic sea ...Zn plays an important role in the protection of iron and steel from corrosion in sea water, and the alloying of Zn and Ni can improve its corrosion resistance. The corrosion behavior of Zn？Ni alloys in synthetic sea water （3.5% NaCl, mass fraction） was studied using Tafel plot and electrochemical impedance spectroscopy （EIS） techniques. The corrosion resistance of the investigated alloys with various Ni contents （0.5%？10%, mass fraction） was compared with that of Zn. The results show that the corrosion resistance of Zn？Ni alloys （except 0.5% Ni） is superior to that of Zn. The 10% Ni gives the highest corrosion resistance due to the formation ofγ-Zn3Ni withγ-ZnNi phases in the alloy. In the case of alloy I （0.5% Ni）, it exhibits a higher corrosion rate （less corrosion resistance） than Zn.展开更多
A novel two-dimensional compound [Ni0.5(H2O)1.5{Ni(en)2}3V18O42(Cl)]3.5H2O 1 has been hydrothermally synthesized and characterized by IR, elemental analysis, and single-crystal X-ray diffraction analysis. Crystal data...A novel two-dimensional compound [Ni0.5(H2O)1.5{Ni(en)2}3V18O42(Cl)]3.5H2O 1 has been hydrothermally synthesized and characterized by IR, elemental analysis, and single-crystal X-ray diffraction analysis. Crystal data for 1: monoclinic, space group C2/c with a = 12.824(3), b = 27.873(6), c = 21.092(4) , b = 92.93(3), V = 7529(3) 3, Z = 4, Dc = 2.012 g/cm3, Mr = 2280.56, F(000) = 4476 and m = 3.092 mm-1. The final R and wR are 0.0769 and 0.1783, respectively for 4203 observed reflections with I>2s(I). The structure consists of [V18O42(Cl)]7- clusters linked by trans- {Ni(en)2} groups into linear chains, while cis-{Ni(en)2} groups provide the cross-linking adjacent chains to form a two-dimensional structure.展开更多
基金Supported by the Natural Science Foundation of Shandong Province(No. Y2002B09)
文摘The 5-parameter Morse potential（5-MP） of the interactions between Cl atoms and Ni surfaces was constructed. The adsorption and diffusion of Cl atoms on Ni low index-surfaces were investigated with 5-MP in detail. All the critical characteristics of the system, such as adsorption site, adsorption geometry, binding energy, eigenvalues for vibration, etc. were obtained. The calculated results show that chlorine atoms are likely to be adsorbed on the high symmetry- sites. Cl atoms locate on the four-fold hollow sites of the intact Ni（100） surface, while they tend to occupy threefold sites on the Ni（ 111 ） surface. The four-fold hollow sites are the most stable adsorption sites on the Ni （110） surface for Cl, although the three-fold sites and the long-bridge sites are stable adsorption sites on the Ni（110） surface for the atoms of the first and second periods. For the Cl-Ni surface adsorption system, the surface binding energy of a Cl atom is relevant to the coarse degree of the cluster surface, and the binding energies have an order of Ni （ 111 ） 〈 Ni（100） 〈Ni（100）.
文摘Zn plays an important role in the protection of iron and steel from corrosion in sea water, and the alloying of Zn and Ni can improve its corrosion resistance. The corrosion behavior of Zn？Ni alloys in synthetic sea water （3.5% NaCl, mass fraction） was studied using Tafel plot and electrochemical impedance spectroscopy （EIS） techniques. The corrosion resistance of the investigated alloys with various Ni contents （0.5%？10%, mass fraction） was compared with that of Zn. The results show that the corrosion resistance of Zn？Ni alloys （except 0.5% Ni） is superior to that of Zn. The 10% Ni gives the highest corrosion resistance due to the formation ofγ-Zn3Ni withγ-ZnNi phases in the alloy. In the case of alloy I （0.5% Ni）, it exhibits a higher corrosion rate （less corrosion resistance） than Zn.
基金This work was supported by NNSFC (No. 20271050 and 20171045) the Educational Ministry of China the Talents Program of the Chinese Academy of Sciences and NSF of Fujian province (E0210029)
文摘A novel two-dimensional compound [Ni0.5(H2O)1.5{Ni(en)2}3V18O42(Cl)]3.5H2O 1 has been hydrothermally synthesized and characterized by IR, elemental analysis, and single-crystal X-ray diffraction analysis. Crystal data for 1: monoclinic, space group C2/c with a = 12.824(3), b = 27.873(6), c = 21.092(4) , b = 92.93(3), V = 7529(3) 3, Z = 4, Dc = 2.012 g/cm3, Mr = 2280.56, F(000) = 4476 and m = 3.092 mm-1. The final R and wR are 0.0769 and 0.1783, respectively for 4203 observed reflections with I>2s(I). The structure consists of [V18O42(Cl)]7- clusters linked by trans- {Ni(en)2} groups into linear chains, while cis-{Ni(en)2} groups provide the cross-linking adjacent chains to form a two-dimensional structure.
