Journal ArticleDOI
Methane oxidation over alumina supported platinum investigated by time-resolved in situ XANES spectroscopy
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TLDR
In situ time-resolved X-ray absorption spectroscopy and mass spectrometry were used to correlate changes in catalyst surface composition with catalytic activity for methane oxidation over alumina supported Pt. The experimental results showed that during the gas phase transients, the surface O/Pt ratio changes, which in turn affects the methane oxidation rate.About:
This article is published in Journal of Catalysis.The article was published on 2007-11-15. It has received 64 citations till now. The article focuses on the topics: Anaerobic oxidation of methane & Methane.read more
Citations
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Platinum nanoparticles on Al2O3: Correlation between the particle size and activity in total methane oxidation
I.E. Beck,Valerii I. Bukhtiyarov,Ilya Yu. Pakharukov,Vladimir I. Zaikovsky,Vladimir V. Kriventsov,Valentin N. Parmon +5 more
TL;DR: In this article, the size dependence of the specific catalytic activity is narrow and bell-shaped, with the maximum TOF value observed for the catalysts containing partially oxidized platinum with the mean particle sizes of about 2.
Journal ArticleDOI
Chemistry of Supported Palladium Nanoparticles during Methane Oxidation
Johan Nilsson,Per-Anders Carlsson,Sheedeh Fouladvand,Natalia M. Martin,Johan Gustafson,Mark A. Newton,Edvin Lundgren,Henrik Grönbeck,Magnus Skoglundh +8 more
TL;DR: In this paper, time-resolved in situ, energy-dispersive X-ray absorption spectroscopy and mass spectrometry were used to correlate changes in the chemical state of alumina and ceria-supported palladium nanopartic materials.
Journal ArticleDOI
Applications of Modulation Excitation Spectroscopy in Heterogeneous Catalysis
Philipp Müller,Ive Hermans +1 more
TL;DR: The modulation excitation spectroscopy (MES) was introduced to the heterogeneous catalysis community and has been increasingly applied since then as discussed by the authors, where periodic perturbation of a given system, in combination with phase-sensitive detection (PSD) analysis, significantly reduces noise, distinguishes between active and spectator species, and enables extraction of kinetic information.
Journal ArticleDOI
Modulation Excitation X-Ray Absorption Spectroscopy to Probe Surface Species on Heterogeneous Catalysts
TL;DR: In this article, the advantages and open questions of the combination of modulation excitation spectroscopy and phase sensitive detection with X-ray absorption spectrograms for the analysis of heterogeneous catalysts at work are reviewed.
Journal ArticleDOI
Low-temperature oxidation of carbon monoxide and methane over alumina and ceria supported platinum catalysts
TL;DR: In this article, the ignition and extinction processes for total oxidation of CO, CH4 and CO + CH4 mixture in oxygen excess over Pt/Al2O3 and Pt/CeO2 catalysts with the platinum phase distributed either homogeneously or het- erogeneously (i.e., locally high platinum concentration) in the support have been studied by temperature programmed oxidation experiments.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
Journal ArticleDOI
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism.
TL;DR: Novel features are that the pseudopotential itself becomes charge-state dependent, the usual norm-conservation constraint does not apply, and a generalized eigenproblem is introduced.
Journal ArticleDOI
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
TL;DR: In this article, the authors describe recent technical developments that have made the total-energy pseudopotential the most powerful ab initio quantum-mechanical modeling method presently available, and they aim to heighten awareness of the capabilities of the method in order to stimulate its application to as wide a range of problems in as many scientific disciplines as possible.
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