Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Per Stoltze"'
Publikováno v:
Hansen, A, van Well, W & Stoltze, P 2007, ' Microkinetic modeling as a tool in catalyst discovery ', Topics in Catalysis, vol. 45, no. 1-4, pp. 219-222 .
We propose a new approach for catalyst development that combines different scientific disciplines: experimental design, surface science, reaction kinetics and simulations with the objective of accelerating catalyst development. In this paper we prese
Publikováno v:
Applied Catalysis A: General. 289:267-273
Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5–23]. The model successfully explains both surface science experiments and kinetic ex
Publikováno v:
Applied Catalysis A: General. 282:189-194
In this work, the synergy effect between different phases of bismuth molybdate catalysts was investigated systematically. The catalysts were prepared by spray drying and had a Bi/Mo atomic between 0.57 and 2. It is found that the synergy effect is on
Autor:
Per Stoltze, Carsten Stegelmann
Publikováno v:
Journal of Catalysis. 226:129-137
A microkinetic model which successfully explains the steady-state kinetics of ethylene oxidation on silver is used to simulate transient surface science experiments. The model explains a number of important TPR experiments in the literature. It is de
Autor:
Carsten Stegelmann, Per Stoltze
Publikováno v:
Surface Science. 552:260-272
A microkinetic model for the oxygen–silver system has been developed, which contains thermodynamics and kinetics of molecular and dissociative chemisorption. The model parameters are extracted from UHV experiments on Ag(1 1 1) and explains molecula
Publikováno v:
Christoffersen, E, Stoltze, P & Nørskov, J K 2002, ' Monte Carlo simulation of adsorption-induced segregation ', Surface Science, vol. 505, no. 1-3, pp. 200-214 . https://doi.org/10.1016/S0039-6028(02)01158-5
Through the use of Monte Carlo simulations we study the effect of adsorption-induced segregation. From the bulk composition, degree of dispersion and the partial pressure of the gas phase species we calculate the surface composition of bimetallic all
Publikováno v:
Catalysis Letters. 64:101-106
Self‐consistent density functional calculations for the adsorption of O and CO on flat and stepped Au(111) surfaces are used to investigate effects which may increase the reactivity of Au. We find that the adsorption energy does not depend on the n
Publikováno v:
Journal of Catalysis. 188:83-89
The ammonia synthesis activity of a multipromoted iron catalyst (KM1R, Haldor Topsoe A/S) is reported for a wide range of conditions. The H2:N2 ratio is varied by a factor of 10, the total pressures are between 1 and 100 bar, and temperatures are in
Autor:
Jens K. Nørskov, Maria Veronica Ganduglia-Pirovano, Per Stoltze, Bjørk Hammer, Jens Jørgen Mortensen, Lars Bruno Hansen
Publikováno v:
Surface Science. 422:8-16
Adsorption energies and structures for N atoms on three low-index surfaces of Fe have been calculated using density functional theory (DFT) and the generalized gradient approximation (GGA). At low N coverage the adsorption energy on Fe(100) is found
Publikováno v:
Israel Journal of Chemistry. 38:279-284
Recent density functional theory calculations of the energetics of N2 dissociation on Fe(111) and atomic N adsorption on all three low-index Fe surfaces have given new detailed information about precursors for dissociation, new reaction channels, and