Composition and structure of the RuO2(110) surface in an O2 and CO environment: implications for the catalytic formation of CO2

The phase diagram of surface structures for the model catalyst RuO2(110) in contact with a gas environment of O2 and CO is calculated by density-functional theory and atomistic thermodynamics. Adsorption of the reactants is found to depend crucially on temperature and partial pressures in the gas phase. Assuming that a catalyst surface under steady-state operation conditions is close to a constrained thermodynamic equilibrium, we are able to rationalize a number of experimental findings on the CO oxidation over RuO2(110). We also calculated reaction pathways and energy barriers. Based on the various results the importance of phase coexistence conditions is emphasized as these will lead to an enhanced dynamics at the catalyst surface. Such conditions may actuate an additional, kinetically controlled reaction mechanism on RuO2(110).Comment: 12 pages including 8 figure files. Submitted to Phys. Rev. B. Related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

Structural and optical properties of InGaN/GaN multiple quantum wells grown on nano-air-bridged GaN template

10.1063/1.2372686Applied Physics Letters8917-APPL

Nanoair-bridged lateral overgrowth of GaN on ordered nanoporous GaN template

10.1063/1.2147716Applied Physics Letters87251-3APPL

Short-time proper orthogonal decomposition of time-resolved schlieren images for transient jet screech characterization

Short-time Proper Orthogonal Decomposition (POD) is proposed as an image-based technique to study the transient jet screech characteristics of moderately under-expanded supersonic jets emanating from a circular baseline and two bevelled nozzles. Time-resolved schlieren imaging of turbulent flow structures were performed with an ultrahigh-speed schlieren setup. Short-time POD was performed by systematically sampling image-series with a short time delay, performing PODs and applying spectral analyses on the first POD mode coefficients, and plotting the peak frequencies from the resulting PSDs into a peak frequency-occurrence count histogram. The results are in good agreement with the near-field noise spectra and wavelet transform analysis of the microphone measurements, which revealed intermittent jet screech occurrences at St=0.25 for both baseline and 30° bevelled jets, while none was detected for the 60° bevelled jet. In particular, the occurrence counts of the frequency bins is proposed as a suitable parameter to characterize the intermittent nature of jet screech, with the frequency bin revealing the jet screech frequency if present. The present study demonstrates the advantage of short-time POD analysis on time-resolved schlieren images over traditional image-based POD methods, which includes computational gains from parallelization, the ability to handle much larger datasets and revealing insights into a transient flow and noise phenomenon.Ministry of Education (MOE)Nanyang Technological UniversityThe authors gratefully acknowledge support for the study through a Singapore Ministry of Education AcRF Tier-2 grant (Grant number: MOE2014-T2-1-002), as well as support for the first author through a NTU Nanyang President Graduate Scholarship