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As in many scientific disciplines, modern chemistry involves a mix of experimentation and computer-supported theory. Historically, these skills have been provided by different groups, and range from traditional 'wet' laboratory science to advanced numerical simulation. Increasingly, progress is made by global collaborations, in which new theory may be(More)
New insights into electrochemical kinetics of the flavin adenine dinucleotide (FAD) redox center of glucose-oxidase (GlcOx) immobilized on reduced graphene oxide (rGO), single- and multiwalled carbon nanotubes (SW and MWCNT), and combinations of rGO and CNTs have been gained by application of Fourier transformed AC voltammetry (FTACV) and simulations based(More)
Estimation of thermodynamic and kinetic parameters in electrochemical studies is usually undertaken via comparison of the experimental results with theory based on a model that mimics the experiment. The present study examines the credibility of transient d.c. and a.c. voltammetric theory-experiment comparisons for recovery of the parameters needed to model(More)
A closo-type 11-vertex osmaborane [1-(η(6)-pcym)-1-OsB10H10] (pcym = para-cymene) has been synthesized and characterized by single-crystal X-ray diffraction and elemental analysis, as well as by (11)B and (1)H NMR, UV-visible, and mass spectrometry. The redox chemistry has been probed by dc and Fourier transformed ac voltammetry and bulk reductive(More)
Detailed electrochemical studies have been undertaken on molecular aggregation of the organic semiconductor 7,14-bis((triisopropylsilyl)-ethynyl)dibenzo[b,def]chrysene (TIPS-DBC), which is used as an electron donor material in organic solar cells. Intermolecular association of neutral TIPS-DBC molecules was established by using (1)H NMR spectroscopy as well(More)
Sinusoidal large amplitude ac voltammetric techniques gene-rate very large data sets. When analyzed in the frequency domain, using a Fourier transform (FT)-band filtering- inverse FT sequence, the data may be resolved into the aperiodic dc, fundamental, second, and higher order ac harmonics. Each of these components exhibit a different level of sensitivity(More)
Fully automated and computer assisted heuristic data analysis approaches have been applied to a series of AC voltammetric experiments undertaken on the [Fe(CN)6](3-/4-) process at a glassy carbon electrode in 3 M KCl aqueous electrolyte. The recovered parameters in all forms of data analysis encompass E(0) (reversible potential), k(0) (heterogeneous charge(More)
Heterogeneous charge transfer rate constants (k°) for the oxidation of ferrocene, Fc (k° = 0.21 cm s(-1) at 20 °C), and the reduction of the cobaltocenium cation, Cc(+) (k° = 0.12 cm s(-1) at 18 °C), in CH(2)Cl(2) (0.5 M Bu(4)NPF(6)) at a glassy carbon (GC) electrode were determined as a function of temperature using the higher harmonic components available(More)
Many electrode processes that approach the "reversible" (infinitely fast) limit under voltammetric conditions have been inappropriately analyzed by comparison of experimental data and theory derived from the "quasi-reversible" model. Simulations based on "reversible" and "quasi-reversible" models have been fitted to an extensive series of a.c. voltammetric(More)
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