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J. Cent. South Univ. (2018) 25: 772-782 DOI: https://doi.org/10.1007/s11771-018-3782-z Density functional investigation on structural and electronic properties of small bimetallic PbnAgn (n=2–12... functional theory with generalized gradient approximation at BLYP level in DMol3 program package. The optimized bimetallic PbnAgn (n=2–12) clusters were viewed as the initial structures, then, those were......
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come from both grinding environments and lattice substitutions in spodumene. Density functional theory (DFT) calculation revealed that Fe and Ca could exist as lattice substitutions on the spodumene... substitution; metal ion impurities; density functional theory (DFT) calculation; spodumene; cleavage; flotation 1 Introduction Lithium and several of its compounds, as critical and strategic materials, have been......
Optimizing Electroless Plating of Ni-Mo-P Coatings Toward Functional CeramicsN.Ma.Rosas-Laverde1,2,A.Pruna3,4,J.Cembrero1,M.Pascual1,J.Orozco-Messana41. Department of Materials and Mechanical... potential of the Ni-Mo-P electroless coatings for functional ceramics.关键词:......
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group functionalized magnetic Fe3O4 nanoparticle[J]. J Radioanal Nucl Chem, 2014, 301: 781-788. [3] XIAO Fang-zhu, PENG Guo-wen, DING De-xin, DAI Yi-min. Preparation of a novel biosorbent ISCB and its... containing calix[4]arenes with different chelating group towards uranium anions[J]. Journal of Macromolecular Science, Part A: Pure and Applied Chemistry, 2015, 52(8): 599-608. [13] SALMN L, THUERY P......
may provide theoretical guidance for choosing dopant element and reveal the element doping mechanism of Mg(OH)2. Key words: Mg(OH)2; density functional theory; molecular dynamics; defects; electronic... investigated from this perspective. In the present work, the detailed microstructures of Mg(OH)2 containing point defects both in the bulk and on its surface were determined using density functional......
China Nonferrous Metals Scientific and Technical Joint-Development Group (CNJDG)R.M.摘 要:<正> China Nonferrous Metals Scientific and Technical Joint-Development Group(CNJDG)consists of thirty odd research,design institutions,universities,colleges,plants,mines,enterprisesand consulting companies(see attached list of membership units)CNJDG has......
In-situ A1/24Si Functional Graded Materials Prepared by Electromagnetic SeparationKeLI,JunWANG,DaSHU,BaodeSUN,YaoheZHOU摘 要:<正>Cylinder-like in-situ AI/24Si FGMs were produced by using electromagnetic separating process. Si primary phase reinforced layer with volume fraction as high as 16 pct was formed at the outer region of the cylinder-like......
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