Structure of kaolinite and influence of stacking faults: Reconciling theory and experiment using inelastic neutron scattering analysis

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Funding Acknowledgements

The authors would like to thank Dr. Stewart Parker and Dr. Timmy Ramirez-Cuesta for assistance with sample loading, data acquisition, and data reduction on TOSCA at ISIS, Rutherford Appleton Laboratory, UK, and Dr. Neil J. Henson for assistance and valuable discussions regarding VASP. The authors acknowledge the use of Los Alamos National Laboratory Institutional Computing resources for the calculations performed in this work. The participation of C. E. W. in this work was supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under (U.S.) Department of Energy (DOE) Contract No. DE-AC52-06NA25396. Furthermore, C. E. W. gratefully acknowledges the support of the (U. S.) Department of Energy through the LANL/LDRD Program. This work was funded in part by the Australian Research Council (ARC) (including some funding via the Particulate Fluids Processing Centre, a Special Research Centre of the ARC), and in part by a studentship paid to Claire White by the Centre for Sustainable Resource Processing via the Geopolymer Alliance. Travel funding for the experiments at ISIS was provided through the ANSTO Access to Major Research Facilities Program.