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<https://discovery.ucl.ac.uk/id/eprint/10188848> <http://purl.org/dc/terms/title> "Stacking Disorder as a Critical Tuning Parameter for the\r\nProperties of Materials"^^<http://www.w3.org/2001/XMLSchema#string> .
<https://discovery.ucl.ac.uk/id/eprint/10188848> <http://purl.org/ontology/bibo/abstract> "Stacking disorder is a complex yet vital phenomenon that in principle, can occur in every\r\nlayered material.1-9 The need for a thorough understanding of stacking disorder has only\r\nbecome apparent within the last 12 years, 10 together with the extensive impact this has\r\non material properties. This thesis builds upon stacking disorder research explored\r\npreviously for diamond 2, 7, 11, 12 in addition to new studies on AgI, CuI, AgI-CuI, and\r\nprovides insight into the theoretical aspects of stacking disorder and third-order memory\r\neffects.\r\nThis thesis focuses initially on stacking disorder in AgI, where it has been found\r\nthat the dependence of the Ag+ and I- ratios allows for targeted precipitation of cubicities\r\nin the 0–81% range. AgI samples exhibiting varying polarity, originating from preparation\r\nmethod, have been shown to experience surface ion adsorption effects with cations. A link\r\nbetween AgI cubicity and associated band gap energies has also been found. In addition,\r\nwhen heating AgI to the high temperature α-phase, samples exhibited memory effects,\r\nand this is hypothesised to relate to the surface stabilisation by ions.\r\nCuI did not exhibit any stacking disorder, however this research has given greater\r\ninsight into the characteristics of this material. Stacking disorder in AgI-CuI was explored\r\nby adjusting the starting ratios of ions, showing a tendency of the resultant material to\r\nform cubic polytypes amongst potential new phases and stacking disordered structures\r\nwhen a deficiency of I- was exploited.\r\nInvestigations into Popigai diamond samples showed hexagonalities of 0-39%.\r\nAdditional peaks in XRD patterns at 2θ=12 ° in combination with DIFFaX simulations\r\nand HRTEM suggested the presence of extended graphitic regions resulting in both type\r\n1 and 2 diaphite.\r\nThe final chapter focuses on evolving theoretical aspects of stacking disorder,\r\ndeveloping MCDIFFaX to incorporate third-order stacking probabilities and fitting of\r\nhigh-order memory effect simulations."^^<http://www.w3.org/2001/XMLSchema#string> .
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