Investigation of valence band structures in Cu-Pd alloys

Nemoshkalenko, V. V.; Chudinov, M. G.; Aleshin, V. G.; Kucherenko, Yu.; Sheludchenko, L.M.

doi:10.1016/0038-1098(75)90068-x

Cited by 14 publications

(9 citation statements)

References 10 publications

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“…88−92 Moreover, Nemoshkalenko et al found that electrons with e g symmetry have higher transition probability than those with t 2g symmetry. 92 This explains the larger TDOS d-band center positions of Fe, Co, Ni, Pd, and Pt and shows that theoretical calculations are necessary to obtain the correct intensity distribution in the VBS. For Ag and Au, the energy axis of the TDOS appears to be compressed when compared to the XPS VB.…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 87%

“…This supports the work by Nemoshkalenko et al, who found higher photoemission transition probabilities for electrons with e g symmetry than for those with t 2g symmetry. 92 Consequently, the XPS d-band center results have to be regarded as a weighted sum of the two symmetry contributions, with a stronger weight given to the e g component.…”

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

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Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications

et al. 2012

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The valence band structures (VBS) of eight transition metals (Fe, Co, Ni, Cu, Pd, Ag, Pt, Au) were investigated by photoelectron spectroscopy (PES) using He I, He II, and monochromatized Al Kα excitation. The influence of final states, photoionization cross-section, and adsorption of residual gas molecules in an ultrahigh vacuum environment are discussed in terms of their impact on the VBS. We find that VBSs recorded with monochromatized Al Kα radiation are most closely comparable to the ground state density of states (DOS) derived from quantum mechanics calculations. We use the Al Kα-excited PES measurements to correct the energy scale of the calculated ground-state DOS to approximate the "true" ground-state d-band structure. Finally, we use this data to test the d-band center model commonly used to predict the electronicproperty/catalytic-activity relationship of metals. We find that a simple continuous dependence of activity on d-band center position is not supported by our results (both experimentally and computationally).

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Section: Experimental and Theoretical Methodsmentioning

confidence: 87%

Section: Experimental and Theoretical Methodsmentioning

confidence: 99%

Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications

et al. 2012

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“…In addition, hetero-atom doping in the graphene framework breaks its electro-neutrality, thereby enhancing the overall catalytic activity. , Similarly, the introduction of defects in the graphene framework also changes the electronic properties which is reflected in the catalytic performance. , Among the non-PGMs, Co 3 O 4 nanoparticles are one of the most promising candidates for ORR in alkaline medium. Their mixed valency (Co 2+ , Co 3+ ) allows faster electron movement during the catalytic reactions through the hopping mechanism. − Moreover, precise tuning of the morphological and electronic properties can further enhance the electrocatalytic characteristics of the Co 3 O 4 nanoparticles. − The enhanced activity of the Co 3 O 4 catalyst can be achieved by alloying with different transition metals. ,− Typically, alloying of two transition metals induces favorable changes in intrinsic properties by altering the density of state (DOS) at the Fermi level of the metallic sites and also amends the catalytic Gibbs free energy, which plays an essential role in determining their enhanced catalytic activity. − …”

Section: Introductionmentioning

confidence: 99%

Efficient and Durable Oxygen Reduction Electrocatalyst Based on CoMn Alloy Oxide Nanoparticles Supported Over N-Doped Porous Graphene

et al. 2017

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Transition metal oxide derived materials are very important for various applications, such as electronics, magnetism, catalysis, electrochemical energy conversion, and storage. Development of efficient and durable catalysts for the oxygen reduction reaction (ORR), an important reaction in fuel cells and metal–air batteries, is highly desirable. Moreover, the futuristic catalysts for these applications need to be cost-effective in order to ensure a competitive edge for these devices in the energy market. This article describes the synthesis of a cost-effective and efficient electrocatalyst for ORR. It is based on supporting CoMn alloy oxide nanoparticles on N-doped porous graphene through a simple and scalable microwave irradiation method. Microwave irradiation was found to be very crucial for the fast creation of pores in the graphene framework with a concomitant formation of the CoMn alloy oxide nanoparticles. A series of catalysts have been synthesized by varying the Co:Mn ratio, among which, the one with the Co:Mn ratio of 2:1 [designated as CoMn/pNGr(2:1)] displayed remarkably higher ORR activity in 0.1 M KOH solution. It showed a ∼60 mV potential shift with a low Tafel slope of 74 mV/decade, which is comparable to that derived from the commercial Pt/C catalyst. This high activity of CoMn/pNGr(2:1) has been credited to the cooperative effect arising from the metal entities and the defects present in the N-doped porous graphene. Finally, real system-level validations of the use of CoMn/pNGr(2:1) as cathode catalyst could be performed by fabricating and testing single-cells of an anion-exchange membrane fuel cell (AEMFC) and a primary Zn–air battery, which successfully demonstrated the efficiency of the catalyst to facilitate ORR in real integrated systems of the single-cell assemblies.

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“…Nemoshkalenko et al (16) have calculated the X-ray electron spectra and the density of valence states in copper, silver, and palladium with the aim of elucidating the character of the effect of transition probability on the shape of the photoelectron energy distribution. The wave functions for the valence bands of each metal were found with the aid of the interpolation method developed by Hodges and Ehrenreich, and the electrons in the conduction band were treated as plane waves.…”

Section: Variations In the Momentum Matrix Elementsmentioning

confidence: 99%

Photoelectron Spectroscopy: Study of Valence Bands in Solids

Green¹

1977

Annu. Rev. Phys. Chem.

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Investigation of valence band structures in Cu-Pd alloys

Cited by 14 publications

References 10 publications

Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications

Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications

Efficient and Durable Oxygen Reduction Electrocatalyst Based on CoMn Alloy Oxide Nanoparticles Supported Over N-Doped Porous Graphene

Photoelectron Spectroscopy: Study of Valence Bands in Solids

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