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   1. <dc:title>2D Cu(I)‑I Coordination Polymer with Smart Optoelectronic Properties and Photocatalytic Activity as a Versatile Multifunctional Material</dc:title>

   2. <dc:creator>Murillo, María</dc:creator>

   3. <dc:creator>Wannemacher, Reinhold</dc:creator>

   4. <dc:creator>Cabanillas González, Juan</dc:creator>

   5. <dc:creator>Rodríguez Mendoza, Ulises R.</dc:creator>

   6. <dc:creator>Gonzalez Platas, Javier</dc:creator>

   7. <dc:creator>Liang, Akun</dc:creator>

   8. <dc:creator>Turnbull, Robin</dc:creator>

   9. <dc:creator>Errandonea, Daniel</dc:creator>

   10. <dc:creator>Lifante Pedrola, Ginés</dc:creator>

   11. <dc:creator>García Hernán, Andrea</dc:creator>

   12. <dc:creator>Martínez, Jose I.</dc:creator>

   13. <dc:creator>Amo Ochoa, María Pilar</dc:creator>

   14. <dc:contributor>UAM. Departamento de Física Aplicada</dc:contributor>

   15. <dc:contributor>UAM. Departamento de Química Inorgánica</dc:contributor>

   16. <dc:subject>Física</dc:subject>

   17. <dc:subject>Química</dc:subject>

   18. <dc:description>This work presents two isostructural Cu(I)-I 2-fluoropyrazine (Fpyz) luminescent and semiconducting 2D coordination polymers (CPs). Hydrothermal synthesis allows the growth of P-1 space group single crystals, whereas solvent-free synthesis produces polycrystals. Via recrystallization in acetonitrile, P21 space group single crystals are obtained. Both show a reversible luminescent response to temperature and pressure. Structure determination by single-crystal X-ray diffraction at 200 and 100 K allows us to understand their response as a function of temperature. Applying hydrostatic/uniaxial pressure or grinding also generates significant variations in their emission. The high structural flexibility of the Cu(I)-I chain is significantly linked to the corresponding alterations in structure. Remarkably, pressure can increase the conductivity by up to 3 orders of magnitude. Variations in resistivity are consistent with changes in the band gap energy. The experimental results are in agreement with the DFT calculations. These properties may allow the use of these CPs as optical pressure or temperature sensors. In addition, their behavior as a heterogeneous photocatalyst of persistent organic dyes has also been investigated</dc:description>

   19. <dc:description>Thanks to Micro and Nanotechnology Institute CNM-CSIC for SEM images. Thanks to the SCXRD laboratory of the Interdepartmental Research Service and to Servicios Generales de Apoyo a la Investigación (SEGAI) at La Laguna University. This work has been supported by MCINN/AEI/ 10.13039/ 5011000011033 under the National Program of Sciences and Technological Materials, PID2019-108028GB-C22, PID2019- 106383GB-C41/C44, and TED2021-131132B-C22. Thanks to Gobierno d e Canarias and EU-FEDER (grant: ProID2020010067). This study forms part of the Advanced Materials program and was supported by MCIN with funding from European Union Next Generation EU (PRTR-C17.I1) and by Generalitat Valenciana (grant MFA/2022/007 and PROMETEO CIPROM/2021/075-GREENMAT). A.L. (R.T.) and D.E. thank the Generalitat Valenciana for the Ph.D. (Postdoctoral) Fellowship No. GRISOLIAP/2019/025 (CIAPOS/2021/20). J.C.G. and R. W. acknowledge the support from the Spanish Ministry of Science and Innovation (RTI2018-097508-B-I00, PID2021-128313OB-I00, TED2021- 131018B-C22) and the Regional Government of Madrid through projects NMAT2D-CM (S2018/NMT-4511). J.C.G. acknowledges support from the Regional Government of Madrid through “Proyectos Sinérgicos de I + D” (grant Y2018/NMT-5028 FULMATEN-CM) and NANOCOV-CM (REACT-UE). IMDEA Nanociencia acknowledges support from the Severo Ochoa Programme for Centres of Excellence in R&D (MINECO, grant CEX2020-001039-S)</dc:description>

   20. <dc:date>2023-06-30</dc:date>

   21. <dc:type>journal article</dc:type>

   22. <dc:type>info:eu-repo/semantics/publishedVersion</dc:type>

   23. <dc:identifier>Inorganic Chemistry 62.28 (2023): 10928–10939</dc:identifier>

   24. <dc:identifier>0020-1669 (print)</dc:identifier>

   25. <dc:identifier>1520-510X (online)</dc:identifier>

   26. <dc:identifier>http://hdl.handle.net/10486/707961</dc:identifier>

   27. <dc:identifier>10.1021/acs.inorgchem.3c00616</dc:identifier>

   28. <dc:identifier>10928</dc:identifier>

   29. <dc:identifier>28</dc:identifier>

   30. <dc:identifier>10939</dc:identifier>

   31. <dc:identifier>62</dc:identifier>

   32. <dc:language>eng</dc:language>

   33. <dc:relation>Gobierno de España. TED2021-131132B-C22</dc:relation>

   34. <dc:relation>Gobierno de España. RTI2018-097508-B-I00</dc:relation>

   35. <dc:relation>Gobierno de España. PID2021-128313OB-I00</dc:relation>

   36. <dc:relation>Gobierno de España. TED2021- 131018B-C22</dc:relation>

   37. <dc:rights>open access</dc:rights>

   38. <dc:format>application/pdf</dc:format>

   39. <dc:publisher>American Chemical Society</dc:publisher>

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      1. <datacite:title>2D Cu(I)‑I Coordination Polymer with Smart Optoelectronic Properties and Photocatalytic Activity as a Versatile Multifunctional Material</datacite:title>

      </datacite:titles>

   2. <datacite:creators>

      1. <datacite:creator>

         1. <datacite:creatorName>Murillo, María</datacite:creatorName>

         </datacite:creator>

      2. <datacite:creator>

         1. <datacite:creatorName>Wannemacher, Reinhold</datacite:creatorName>

         </datacite:creator>

      3. <datacite:creator>

         1. <datacite:creatorName>Cabanillas González, Juan</datacite:creatorName>

         </datacite:creator>

      4. <datacite:creator>

         1. <datacite:creatorName>Rodríguez Mendoza, Ulises R.</datacite:creatorName>

         </datacite:creator>

      5. <datacite:creator>

         1. <datacite:creatorName>Gonzalez Platas, Javier</datacite:creatorName>

         </datacite:creator>

      6. <datacite:creator>

         1. <datacite:creatorName>Liang, Akun</datacite:creatorName>

         </datacite:creator>

      7. <datacite:creator>

         1. <datacite:creatorName>Turnbull, Robin</datacite:creatorName>

         </datacite:creator>

      8. <datacite:creator>

         1. <datacite:creatorName>Errandonea, Daniel</datacite:creatorName>

         </datacite:creator>

      9. <datacite:creator>

         1. <datacite:creatorName>Lifante Pedrola, Ginés</datacite:creatorName>

         2. <datacite:nameIdentifier nameIdentifierScheme="ORCID" schemeURI="https://orcid.org">0000-0002-6083-2533</datacite:nameIdentifier>

         3. <datacite:affiliation>Universidad Autónoma de Madrid</datacite:affiliation>

         </datacite:creator>

      10. <datacite:creator>

          1. <datacite:creatorName>García Hernán, Andrea</datacite:creatorName>

          </datacite:creator>

      11. <datacite:creator>

          1. <datacite:creatorName>Martínez, Jose I.</datacite:creatorName>

          </datacite:creator>

      12. <datacite:creator>

          1. <datacite:creatorName>Amo Ochoa, María Pilar</datacite:creatorName>

          2. <datacite:nameIdentifier nameIdentifierScheme="ORCID" schemeURI="https://orcid.org">0000-0002-1952-1020</datacite:nameIdentifier>

          3. <datacite:affiliation>Universidad Autónoma de Madrid</datacite:affiliation>

          </datacite:creator>

      </datacite:creators>

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      1. <datacite:contributor contributorType="Other">

         1. <datacite:contributorName>UAM. Departamento de Física Aplicada</datacite:contributorName>

         </datacite:contributor>

      2. <datacite:contributor contributorType="Other">

         1. <datacite:contributorName>UAM. Departamento de Química Inorgánica</datacite:contributorName>

         </datacite:contributor>

      </datacite:contributors>

   4. <datacite:subjects>

      1. <datacite:subject>Física</datacite:subject>

      2. <datacite:subject>Química</datacite:subject>

      </datacite:subjects>

   5. <dc:description>This work presents two isostructural Cu(I)-I 2-fluoropyrazine (Fpyz) luminescent and semiconducting 2D coordination polymers (CPs). Hydrothermal synthesis allows the growth of P-1 space group single crystals, whereas solvent-free synthesis produces polycrystals. Via recrystallization in acetonitrile, P21 space group single crystals are obtained. Both show a reversible luminescent response to temperature and pressure. Structure determination by single-crystal X-ray diffraction at 200 and 100 K allows us to understand their response as a function of temperature. Applying hydrostatic/uniaxial pressure or grinding also generates significant variations in their emission. The high structural flexibility of the Cu(I)-I chain is significantly linked to the corresponding alterations in structure. Remarkably, pressure can increase the conductivity by up to 3 orders of magnitude. Variations in resistivity are consistent with changes in the band gap energy. The experimental results are in agreement with the DFT calculations. These properties may allow the use of these CPs as optical pressure or temperature sensors. In addition, their behavior as a heterogeneous photocatalyst of persistent organic dyes has also been investigated</dc:description>

   6. <dc:description>Thanks to Micro and Nanotechnology Institute CNM-CSIC for SEM images. Thanks to the SCXRD laboratory of the Interdepartmental Research Service and to Servicios Generales de Apoyo a la Investigación (SEGAI) at La Laguna University. This work has been supported by MCINN/AEI/ 10.13039/ 5011000011033 under the National Program of Sciences and Technological Materials, PID2019-108028GB-C22, PID2019- 106383GB-C41/C44, and TED2021-131132B-C22. Thanks to Gobierno d e Canarias and EU-FEDER (grant: ProID2020010067). This study forms part of the Advanced Materials program and was supported by MCIN with funding from European Union Next Generation EU (PRTR-C17.I1) and by Generalitat Valenciana (grant MFA/2022/007 and PROMETEO CIPROM/2021/075-GREENMAT). A.L. (R.T.) and D.E. thank the Generalitat Valenciana for the Ph.D. (Postdoctoral) Fellowship No. GRISOLIAP/2019/025 (CIAPOS/2021/20). J.C.G. and R. W. acknowledge the support from the Spanish Ministry of Science and Innovation (RTI2018-097508-B-I00, PID2021-128313OB-I00, TED2021- 131018B-C22) and the Regional Government of Madrid through projects NMAT2D-CM (S2018/NMT-4511). J.C.G. acknowledges support from the Regional Government of Madrid through “Proyectos Sinérgicos de I + D” (grant Y2018/NMT-5028 FULMATEN-CM) and NANOCOV-CM (REACT-UE). IMDEA Nanociencia acknowledges support from the Severo Ochoa Programme for Centres of Excellence in R&D (MINECO, grant CEX2020-001039-S)</dc:description>

   7. <datacite:dates>

      1. <datacite:date dateType="Issued">2023-06-30</datacite:date>

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   10. <datacite:identifier identifierType="HANDLE">http://hdl.handle.net/10486/707961</datacite:identifier>

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       1. <datacite:alternateIdentifier alternateIdentifierType="DOI">10.1021/acs.inorgchem.3c00616</datacite:alternateIdentifier>

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       1. <datacite:relatedIdentifier relatedIdentifierType="ISSN" relationType="IsPartOf">0020-1669 (print)</datacite:relatedIdentifier>

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   13. <dc:language>eng</dc:language>

   14. <datacite:rights rightsURI="http://purl.org/coar/access_right/c_abf2">open access</datacite:rights>

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   16. <datacite:sizes>

       1. <datacite:size>12 pag.</datacite:size>

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   17. <dc:publisher>American Chemical Society</dc:publisher>

   18. <oaire:file objectType="fulltext">https://repositorio.uam.es/bitstream/10486/707961/1/coordination_murillo_IC_2023.pdf</oaire:file>

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