Adsorption of precious and coinage metals on Rh (111), Ru (0001) and W (110) surfaces
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DOI: 10.1016/j.apsusc.2017.03.121
Abstract: Abstract Bimetallic surface alloys have been considered as an effective strategy to achieve better catalytic performance and to modify the work function of the substrate toward metal-gate electrode application. We perform a systematical investigation of… read more here.
Keywords: 110 surfaces; work function; coverage; 0001 110 ... See more keywords
Density functional study on H2S adsorption on Pd(111) and Pd/γ-Al2O3(110) surfaces
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DOI: 10.1016/j.apsusc.2017.06.254
Abstract: Abstract Density functional theory is employed to investigate H 2 S adsorption on perfect, defect, step Pd(111) and Pd/γ-Al 2 O 3 (110) surfaces at different coverage. The adsorption of one and two H 2… read more here.
Keywords: adsorption; density functional; adsorption 111; 110 surfaces ... See more keywords
A comparative DFT study on the dehydrogenation of methanol on Rh(100) and Rh(110)
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DOI: 10.1016/j.apsusc.2017.12.040
Abstract: Abstract Numerous density functional theory calculations have been performed to investigate the complete mechanisms of methanol dehydrogenation on Rh(100) and Rh(110) surfaces. The adsorption properties of relevant species were discussed in details. In addition, a… read more here.
Keywords: comparative dft; dehydrogenation; 110 surfaces; 100 110 ... See more keywords