Leveraging e-Science infrastructure for electrochemical research

被引:15
|
作者
Peachey, Tom [1 ]
Mashkina, Elena [2 ]
Lee, Chong-Yong [2 ]
Enticott, Colin [1 ]
Abramson, David [1 ]
Bond, Alan M. [2 ]
Elton, Darrell [3 ]
Gavaghan, David J. [4 ]
Stevenson, Gareth P. [4 ]
Kennedy, Gareth F. [2 ]
机构
[1] Monash Univ, Fac Informat Technol, Clayton, Vic 3800, Australia
[2] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia
[3] La Trobe Univ, Dept Elect Engn, Bundoora, Vic 3083, Australia
[4] Univ Oxford, Comp Lab, Oxford OX1 3QD, England
关键词
scientific workflows; Fourier voltammetry; parameter sweeps electrochemistry; IMPEDANCE SPECTROSCOPY; VOLTAMMETRY; CAPACITANCE; RESISTANCE;
D O I
10.1098/rsta.2011.0146
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
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 developed in one part of the world and applied and tested in the laboratory elsewhere. e-Science, or cyber-infrastructure, underpins such collaborations by providing a unified platform for accessing scientific instruments, computers and data archives, and collaboration tools. In this paper we discuss the application of advanced e-Science software tools to electrochemistry research performed in three different laboratories two at Monash University in Australia and one at the University of Oxford in the UK. We show that software tools that were originally developed for a range of application domains can be applied to electrochemical problems, in particular Fourier voltammetry. Moreover, we show that, by replacing ad-hoc manual processes with e-Science tools, we obtain more accurate solutions automatically.
引用
收藏
页码:3336 / 3352
页数:17
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