TY - JOUR A1 - Pellegrino, F. A1 - Isopescu, R. A1 - Pellutiè, L. A1 - Sordello, F. A1 - Rossi, A. M. A1 - Ortel, Erik A1 - Martra, G. A1 - Hodoroaba, Vasile-Dan A1 - Maurino, V. T1 - Machine learning approach for elucidating and predicting the role of synthesis parameters on the shape and size of TiO2 nanoparticles JF - Scientific Reports N2 - In the present work a series of design rules are developed in order to tune the morphology of TiO2 nanoparticles through hydrothermal process. Through a careful experimental design, the influence of relevant process parameters on the synthesis outcome are studied, reaching to the develop predictive models by using Machine Learning methods. The models, after the validation and training, are able to predict with high accuracy the synthesis outcome in terms of nanoparticle size, polydispersity and aspect ratio. Furthermore, they are implemented by reverse engineering approach to do the inverse process, i.e. obtain the optimal synthesis parameters given a specific product characteristic. For the first time, it is presented a synthesis method that allows continuous and precise control of NPs morphology with the possibility to tune the aspect ratio over a large range from 1.4 (perfect truncated bipyramids) to 6 (elongated nanoparticles) and the length from 20 to 140 nm. KW - Machine learning KW - Nanoparticles KW - Titanium dioxide KW - Size KW - Shape KW - Synthesis PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-515084 DO - https://doi.org/10.1038/s41598-020-75967-w VL - 10 IS - 1 SP - 18910 PB - Springer Nature AN - OPUS4-51508 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hodoroaba, Vasile-Dan A1 - Cios, G. A1 - Tokarski, T. A1 - Mansfeld, Ulrich A1 - Ortel, Erik A1 - Mielke, Johannes A1 - Pellegrino, F. A1 - Maurino, V. T1 - Towards 3D Understanding of Non-spherical Nanoparticles by Transmission Kikuchi Diffraction (TKD) for Improved Particle Size Distribution by Electron Microscopy JF - Microscopy and Microanalysis N2 - In this paper one refined approach is applied to determine the exact orientation of bipyramidal TiO2 nanoparticles prepared with good dispersion as almost isolated particles on a carbon TEM grid. The advantages of the recently developed high-throughput Transmission Kikuchi Diffraction (TKD) are used to identify quickly and reliably the geometrical orientation of the crystalline TiO2 nanoparticle bipyramids (anatase) on a statistically relevant number of particles. KW - Nanoparticles KW - Transmission Kikuchi Diffraction (TKD) KW - Electron microscopy KW - TiO2 KW - 3D PY - 2020 DO - https://doi.org/10.1017/S1431927620013999 VL - 26 IS - S2 SP - 260 EP - 261 PB - Cambridge University Press CY - Cambridge, UK AN - OPUS4-51772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -