2018年8月27日 · We demonstrate this property for AgCu alloys that contain dilute Cu concentrations by using valence photoemission spectroscopy to provide a direct measure of the SAA density of state (DOS). These...

分波态密度（Projected Density of State, PDOS），是将态密度投影到每个原子轨道之后得到的态密度的分量。 从分波态密度中，我们可以分析每个原子分别对态密度的贡献，甚至每个原子的每个原子轨道（也就是s、p、d、f轨道）对态密度的贡献。

2018年4月15日 · To simulate a core-shell structure of Pt-Cu alloy with atomic ratio of Pt:Cu = 4:1, it is important to build a suitable model that can balance the cost and precision. In this work, Pt 108 cluster with 108 atoms was considered due to its enough core and shell positions for Cu doping and an acceptable computational cost.

2024年9月12日 · a Calculated partial density of states (pDOS) for Cr, Mn, Fe, Co, and Ni in the CrMnFeCoNi alloy using LDA and LDA + DMFT, shown as yellow and blue solid lines, respectively.

2024年9月5日 · In this work, a PdAg alloy catalyst was successfully constructed inside Slicalite-1 (S-1) zeolite (PdAg@S-1) and applied to toluene degradation. The PdAg@S-1 exhibits excellent toluene degradation activity (T 90 = 179 °C) and favorable long-term stability and resistance.

2022年12月1日 · When alloying reaches up to 30 at% Mo, 40 at% W, or 40 at% Re, phase transition from fcc to hexagonal compact packing and stacking faults are the primary deformation of Pd1−x M x. Contrarily, Rh, Ir, and Pt significantly suppress the twinning ability, and full slip becomes the dominant deformation mechanism.

2010年4月16日 · Experimental and theoretical studies, of the Fe-partial phonon density of states (PDOS) for Fe 52.5 Cr 47.5 alloy having α and σ phases were carried out. The former using the nuclear resonant inelastic x-ray scattering method, and the latter with the direct one.

The partial projected density of states (PDOS) (Figure 3b,c; Figure S24, Supporting Information) of HEA NWs and control alloys are calculated to further explore the detailed electronic structure of the d orbitals of the constituent elements.

2017年2月23日 · Hot holes in Pt-Cu alloy clusters can act as catalyst to accelerate the intrinsic aerobic oxidation reactions. It is described that under visible light irradiation the synergistic alcohol catalytic oxidation on Pt-Cu alloy clusters (≈1.1 nm)/TiO 2 nanobelts could be significant promoted by interband-excitation-generated long-lifetime hot ...

2007年7月25日 · The generalized phonon density of states (PDOS) of the shape memory alloy NiTi was measured in three structural phases by means of inelastic neutron scattering for the first time.