Effects of spin multiplicity on atomic structure of titanium trimer自旋多重度对钛三聚体原子结构的影响钛三聚体自旋多重度原子结构Atomic structures of titanium trimer have been obtained at different spin multiplicities by means of density functional theory (DFT) method. Also,vibrational frequencies of ...
Qi Wang Yonggang Yao npj Computational Materials (2025) Three-dimensional atomic-scale characterization of titanium oxyhydroxide nanoparticles by data-driven lattice correlation analysis Kohei Aso Koichi Higashimine Yoshifumi Oshima Communications Chemistry (2025)Access...
The TiO spectrum has been assigned on the basis of ab initio SCF CI calculations and by comparison with the photoelectron spectrum of atomic titanium. The first two bands of TiO were assigned to the TiO+(X2)TiO(X3) and TiO+(A2+)TiO(X3). No vibrational structure was resolved in the ...
zirconium and titanium. A twin boundary occurs where the regular atomic structure in one region becomes misaligned from that in the next. For one specific atomic arrangement, known as a hexagonal close-packed structure, the atomic structures of such defects are not very well understood. Peiet al...
Figure 3.1 The Structure of the Atom Atoms have protons and neutrons in the center, making the nucleus, while the electrons orbit the nucleus. The modern atomic theory states that atoms of one element are the same, while atoms of different elements are different. What makes atoms of different...
Density Measurement and Atomic Structure Simulation of Metastable Liquid Ti-Ni AlloysTITANIUM alloysMETASTABLE statesATOMIC structureDENSITYMOLECULAR dynamicsThe temperature dependence of the densities of liquid Ti-Ni alloys was investigated by the electrostatic levitation technique and molecular dynamics ...
Resistance switching in metal oxides could form the basis for next-generation non-volatile memory. It has been argued that the current in the high-conductivity state of several technologically relevant oxide materials flows through localized filaments, b
titanium alloys/ atomic orderingDO 19 HCP structureFe atom distributionternary substitution alloysAtomic ordering is investigated in ternary substitution alloys with hexagonalclose-packed (hcp) structure of DO 19 (Ti 3 Al) type. The singularities are studied of the influence of the impurity of the ...
Engineering the surface structure at the atomic level can be used to precisely and effectively manipulate the reactivity and durability of catalysts. Here we report tuning of the atomic structure of one-dimensional single-crystal cobalt (II) oxide (CoO)
Ionic Conductivity of the Lithium Titanium Phosphate ( Li1 + X M X Ti2 − X ( PO 4 ) 3 , M ... not Available. H Aono,E Sugimoto,Y Sadaoka,... - The Electrochemical Society 被引量: 251发表: 1989年 The crystal structure, thermal...