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Charge transfer, lattice distortion, and quantum confinement effects in Pd, Cu, and Pd-Cu nanoparticles; size and alloying induced modifications in binding energy

机译:pd,Cu和pd-Cu纳米粒子中的电荷转移,晶格畸变和量子限制效应;尺寸和合金化诱导结合能的修饰

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摘要

In this letter, effect of size and alloying on the core and valence band shifts of Pd, Cu, and Pd–Cu alloy nanoparticles has been studied. It has been shown that the sign and magnitude of the binding energy shifts is determined by the contributions of different effects; with quantum confinement and lattice distortion effects overlapping for size induced shifts in case of core levels and lattice distortion and charge transfer effects overlapping for alloying induced shifts at smaller sizes. These results are important for understanding gas molecule-solid surface interaction in metal and alloy nanoparticles in terms of valance band positions.
机译:在这封信中,研究了尺寸和合金化对Pd,Cu和Pd-Cu合金纳米粒子的核和价带位移的影响。已经表明,结合能移动的符号和幅度是由不同作用的贡献决定的。在核心能级的情况下,量子限制和晶格畸变效应对于尺寸引起的位移重叠,而在合金化时,晶格畸变和电荷转移效应对于合金化引起的位移重叠。这些结果对于根据价带位置理解金属和合金纳米颗粒中的气体分子-固体表面相互作用非常重要。

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