Free-atom-like d states in single-atom alloy catalysts
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 …
电子结构分析——如何分析态密度以及相关性质？ - 知乎
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 …
The structural and electronic properties of Pt-Cu alloy clusters ...
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 …
Interplay between disorder and electronic correlations in ...
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, …
Constructing highly active zeolite encapsulated PdAg alloy …
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 …
Plastic deformation behavior of Pd-based binary alloys: A first ...
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 …
Vibrational Properties of - and -Phase Fe-Cr Alloy | Phys. Rev. Lett.
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 …
PdMoPtCoNi High Entropy Nanoalloy with - Wiley Online Library
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 …
Hot Hole Enhanced Synergistic Catalytic Oxidation on Pt‐Cu Alloy …
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 …
Phonon Spectra of the Memory Alloy NiTi - ResearchGate
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 …