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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

CO and H 2 adsorption on Au-Ni bimetallic surfaces: a combined experimental and DFT theoretical study

Au-Ni bimetallic thin films were grown on refractory metal substrates. CO and H 2 adsorption on Au-Ni bimetallic surfaces have been studied by a combination of in situ polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS), temperature-programmed desorption (TPD), and density functional theory (DFT) calculations. It is found CO desorption peak shifts from 413 K on pure Ni surfaces to 293 K on the isolated Ni atoms formed by alloying with Au atoms. The sharp decrease of CO desorption temperature on Au-Ni surfaces with increasing Au coverage is caused by the change of the favored CO adsorption sites from bridge/hollow sites on pure Ni surfaces to Ni top sites on Au-Ni bimetallic surfaces. In situ PM-IRRAS shows two CO adsorption bands on Au sites at 2119 cm −1 and 2103 cm −1 on Au-Ni surfaces at 80 K, which are due to CO bound on under-coordinated Au atoms and electron negatively charged Au sites modified with nearby Ni atoms, respectively. Even with the Au-Ni surface temperature at as low as 100 K, CO adsorption induced Ni surface segregation has been observed by in situ PM-IRRAS. Furthermore, DFT calculation results discover the adsorption energy of CO on Ni top sites continues to decrease with increasing Au coverage due to the geometric ensemble effect and the lowered d-band center after Ni alloying with Au. H 2 desorption temperature decreases from 363 K on pure Ni thin films to 302 K with increasing Au coverage to 0.6 ML. A new H 2 peak appears at around 170 K on the Au-Ni surfaces with Au coverages between 0.6 ML and 0.9 ML. This new H 2 TPD peak is assigned to H 2 desorption from the totally isolated Ni sites. With Au coverage above 1.5 ML, there is no any H 2 desorption detected. Finally, the combined surface science studies and DFT calculations provide new insights into the surface structure-activity correlation of Ni-base bimetallic surface alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Nano structuring of GaAs(100) surface using low energy ion irradiation

Nanostructuring of semi insulating GaAs (100) has been observed after irradiation of 50 keV Ar{sup +} ion beam in a wide angular range of 0 deg. to 60 deg. with respect to surface normal. Atomic Force Microscopy (AFM) analysis shows the formation of nano dots at smaller angle of irradiation. At higher angle of irradiation, self organized ripples were developed on the surface. The rms roughness estimated from the AFM analysis shows exponential growth with angle of irradiation. In the high frequency regime, PSD analysis suggests that surface morphology of the irradiated samples is governed by the surface diffusion and mass transport dominated processes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structure fragmentation of a surface layer of commercial purity titanium during ultrasonic impact treatment

The mechanisms of surface layer fragmentation of titanium specimens subjected to ultrasonic impact treatment is investigated by atomic force microscopy, transmission electron microscopy and electron backscatter diffraction. It is shown that the twin boundaries Σ7b and Σ11b are unable to be strong obstacles for propagation of dislocations and other twins.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗