Scaling of the nucleation rate and a Monte Carlo discrete sum approach to water cluster free energies of formation
Article Abstract:
A summation technique using small cluster Helmholtz free energy differences generated with the Bennett Metropolis Monte Carlo technique and TIP4P water-water potentials is examined. The Monte Carlo free energy differences for small TIP4P water clusters, when used in a discrete sum over the small cluster sizes, produce nucleation rates that appear to be partially scaled, with the largest scatter occurring at the lowest temperatures near T = 218 K.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Genesis of Pt clusters in reverse micelles investigated by in situ X-ray absorption
Article Abstract:
The formation mechanism of Pt clusters at the early stages within AOT reverse micelles; in situ X-ray absorption spectroscopy (XAS) has been successfully applied. A corresponding structural model was proposed for each step so that the work provides a detailed insight into the mechanism of nucleation and growth of platinum clusters.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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In situ XAS investigation of transformation of Co monolayer on carbon-supported platinum clusters underpotential control
Article Abstract:
A complete electrochemical oxidation-reduction cycle for a Co monolayer on carbon-supported PT clusters in alkaline solution is monitored in situ by x-ray absorption spectroscopy (XAS). The near range order and oxidation state of the Co monolayer as a function of potential is evaluated by in situ XAS.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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