Author
Graham Hills
Other affiliations: Birkbeck, University of London, Imperial College London, University of Strathclyde
Bio: Graham Hills is an academic researcher from University of Southampton. The author has contributed to research in topics: Nucleation & Aqueous solution. The author has an hindex of 25, co-authored 74 publications receiving 4146 citations. Previous affiliations of Graham Hills include Birkbeck, University of London & Imperial College London.
Papers published on a yearly basis
Papers
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TL;DR: The theory of the potentiostatic current transient for three-dimensional multiple nucleation with diffusion controlled growth is discussed in this paper, where the termination of the nucleation process by the expansion of diffusion fields is considered, as well as deviations from randomness observed in the distribution of nuclei on the electrode surface.
1,629 citations
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TL;DR: In this paper, a new theory was proposed for the potentiostatic current maximum which leads to more reliable values of the nuclear number density and to a better distinction between instantaneous and progressive nucleation.
538 citations
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TL;DR: In this paper, the early stages of metal deposition are controlled by a nucleation process, and the potentiostatic growth transients are in accord with a process of instantaneous nucleation and subsequent hemispherical growth, although the observed concentration dependence is at variance with that predicted by existing theories.
233 citations
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TL;DR: In this paper, a series of simulations has been made for 108 dipoles interacting through the Stockmayer potential with μ* = 1·0, ρ* = 0·8, and a variety of summation methods has been used; all lead to similar thermodynamic properties and diffusion coefficients but the autocorrelation function of the dipole moment of a spherical region varies considerably according to the summation method used.
Abstract: Truncation of the interaction between dipoles in the computer simulation of polar fluids is responsible for an upward drift in the total energy of the system. Methods of avoiding this are discussed. A series of simulations has been made for 108 dipoles interacting through the Stockmayer potential with μ* = 1·0, ρ* = 0·8. A variety of summation methods has been used; all lead to closely similar thermodynamic properties and diffusion coefficients but the autocorrelation function of the dipole moment of a spherical region varies considerably according to the summation method used.
217 citations
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TL;DR: In this paper, microscopically small electrodes were used to study the kinetics of homogeneous redox reactions and the heterogeneous electrochemical nucleation of metals, and the results showed that the mass transfer to exposed areas of <10−6 cm2 gives rise to very high rates of mass transfer, which allow steady-state fluxes to be determined without external control of convection.
175 citations
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8,264 citations
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TL;DR: In this paper, a combined quantum mechanical and molecular mechanical potential has been developed for the study of reactions in condensed phases, where semi-empirical methods of the MNDO and AM1 type are used, while the molecular mechanics part is treated with the CHARMM force field.
Abstract: A combined quantum mechanical (QM) and molecular mechanical (MM) potential has been developed for the study of reactions in condensed phases. For the quantum mechanical calculations semiempirical methods of the MNDO and AM1 type are used, while the molecular mechanics part is treated with the CHARMM force field. Specific prescriptions are given for the interactions between the QM and MM portions of the system; cases in which the QM and MM methodology is applied to parts of the same molecule or to different molecules are considered. The details of the method and a range of test calculations, including comparisons with ab initio and experimental results, are given. It is found that in many cases satisfactory results are obtained. However, there are limitations to this type of approach, some of which arise from the AM1 or MNDO methods themselves and others from the present QM/MM implementation. This suggests that it is important to test the applicability of the method to each particular case prior to its use. Possible areas of improvement in the methodology are discussed.
2,197 citations
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TL;DR: In this paper, the authors compared the solubility of calcite, aragonite, and vaterite in CO2-H2O solutions between 0 and 90°C using the Debye-Huckel individual ion activity coefficients.
1,673 citations
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TL;DR: The theory of the potentiostatic current transient for three-dimensional multiple nucleation with diffusion controlled growth is discussed in this paper, where the termination of the nucleation process by the expansion of diffusion fields is considered, as well as deviations from randomness observed in the distribution of nuclei on the electrode surface.
1,629 citations
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TL;DR: In this article, the authors scrutinize the basis on which the various methods and approaches rest, in order to assess their relevance to the specific electrochemical situation and, as far as possible, their absolute reliability.
1,082 citations