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<export-example>
  <doc>
    <id>51508</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>18910</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>Springer Nature</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Machine learning approach for elucidating and predicting the role of synthesis parameters on the shape and size of TiO2 nanoparticles</title>
    <abstract language="eng">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.</abstract>
    <parentTitle language="eng">Scientific Reports</parentTitle>
    <identifier type="doi">10.1038/s41598-020-75967-w</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-515084</identifier>
    <enrichment key="date_peer_review">16.11.2020</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>F. Pellegrino</author>
    <author>R. Isopescu</author>
    <author>L. Pellutiè</author>
    <author>F. Sordello</author>
    <author>A. M. Rossi</author>
    <author>Erik Ortel</author>
    <author>G. Martra</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>V. Maurino</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Machine learning</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Titanium dioxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Size</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Shape</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synthesis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51508/s41598-020-75967-w.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/51508/41598_2020_75967_MOESM1_ESM.pdf</file>
  </doc>
  <doc>
    <id>49993</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>146</pageFirst>
    <pageLast>162</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>F-61</volume>
    <type>conferenceobject</type>
    <publisherName>Physikalisch-Technische Bundesanstalt</publisherName>
    <publisherPlace>Braunschweig und Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Synthesis of size and shape controlled TiO2 nanoparticles: possible CRM’s candidates for size, shape and functional properties</title>
    <abstract language="eng">Titanium dioxide is one of the most studied metal oxides due to its chemical, surface, electronic and (photo)catalytic properties, providing this material of multisectorial applications ranging from healthcare, photocatalysis, smart materials with self cleaning and self sterilizing properties and solar energy harvesting. However it is difficult to correlate the functional properties of TiO2 nanomaterials to the properties at single nanoparticle level due to the high polydispersity in shape, size and surface features of the currently available TiO2 nanoparticles (NPs). Although intensive experimental and theoretical studies have been conducted on the reactivity of different surfaces of metal oxides such as TiO2 much less attention is paid on the dependence of functional properties, like photocatalytic activity, dye adsorption, open circuit potential and fill factor in dye sensitized solar cells, on crystal facets in different orientations. One of the goal of SETNanoMetro project was the development of design rules to tune crystal facets of TiO2 NPs in order to optimize and control functional properties. In the present work we have developed a series of design rules in order to obtain sets of anatase TiO2 NPs with low polydispersity and to tune their shape and size by hydrothermal processing of Ti(IV)-&#13;
Triethanolamine complex in presence of different shape controllers. Through a careful experimental design, a predictive soft model was developed. The model is able to predict the synthesis outcome allowing to tune the shape factor from 5 (prisms) to 1.5 (bipyramids) to 0.2 (platelets). This allows to control the main crystal facets exposed ranging from (100) to (001). Due to the dependence of functional properties of nanomaterials on shape distribution and not only size, the availability of NPs sets with uniform and well defined and tunable shapes can be of paramount relevance in order to produce reference nanomaterials for shape measurement.</abstract>
    <parentTitle language="eng">PTB-Bericht F-61 - NanoWorkshop 2018: Workshop on Reference Nanomaterials</parentTitle>
    <identifier type="isbn">978-3-95606-440-1</identifier>
    <identifier type="issn">0179-0609</identifier>
    <enrichment key="eventName">NanoWorkshop 2018: Workshop on Reference Nanomaterials</enrichment>
    <enrichment key="eventPlace">Berlin, Germany</enrichment>
    <enrichment key="eventStart">14.05.2018</enrichment>
    <enrichment key="eventEnd">15.05.2018</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>V. Maurino</author>
    <author>L. Pellutiè</author>
    <author>F. Pellegrino</author>
    <author>Erik Ortel</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>R. Isopescu</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anatase</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>shape control</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrothermal synthesis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
  </doc>
  <doc>
    <id>40477</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>80</pageFirst>
    <pageLast>87</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>216</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Influence of agglomeration and aggregation on the photocatalytic activity of TiO2 nanoparticles</title>
    <abstract language="eng">Particle aggregation and agglomeration influence the optical properties of materials and therefore theirability to absorb and scatter the incoming radiation, also affecting their photocatalytic activity. Wehave studied the correlation between aggregation and photocatalytic activity for titanium dioxide bymeans of experimental measurements of extinction and photocatalytic activity and calculations of theiroptical properties (extinction, absorption and scattering cross-sections). This approach can be adoptedto quantitatively assess the quantum yields of the heterogeneous photocatalytic systems. The study wasperformed on TiO2PC105 Cristal ACTiVTM, made of aggregated (and agglomerated) primary particles of anatase. The size of the aggregates has been reduced with ultra-sonication. Aqueous suspensions of the obtained materials were characterized by measuring the optical properties (UV–vis extinction), the sizing properties (DLS) and the photocatalytic activity (degradation of phenol under standard con-ditions). The extinction and absorption spectra of the suspensions were derived from the calculatedcoefficients, considering also the size distributions measured with DLS, and revealed that light absorptionis maximized when particle aggregation and agglomeration are avoided, while diffusion of the incomingradiation dominates when large aggregates and agglomerates are present. The present paper represents a valuable approach to the accurate and reproducible measurement of the photocatalytic activity ofTiO2nanoparticles suspensions, thus allowing a more reliable comparison of the properties of different materials.</abstract>
    <parentTitle language="eng">Applied Catalysis B: Environmental</parentTitle>
    <identifier type="doi">10.1016/j.apcatb.2017.05.046</identifier>
    <identifier type="issn">0926-3373</identifier>
    <identifier type="issn">1873-3883</identifier>
    <enrichment key="date_peer_review">22.06.2017</enrichment>
    <author>F. Pellegrino</author>
    <author>L. Pellutiè</author>
    <author>F. Sordello</author>
    <author>C. Minero</author>
    <author>Erik Ortel</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>V. Maurino</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Titanium dioxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Agglomeration/aggregation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quantum yield</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
</export-example>
