[{"month":"09","date_created":"2023-01-16T09:51:26Z","status":"public","intvolume":"        34","isi":1,"file_date_updated":"2023-01-30T07:35:09Z","article_type":"original","publisher":"American Chemical Society","issue":"19","volume":34,"project":[{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"665385","name":"International IST Doctoral Program"}],"abstract":[{"lang":"eng","text":"Thermoelectric technology requires synthesizing complex materials where not only the crystal structure but also other structural features such as defects, grain size and orientation, and interfaces must be controlled. To date, conventional solid-state techniques are unable to provide this level of control. Herein, we present a synthetic approach in which dense inorganic thermoelectric materials are produced by the consolidation of well-defined nanoparticle powders. The idea is that controlling the characteristics of the powder allows the chemical transformations that take place during consolidation to be guided, ultimately yielding inorganic solids with targeted features. Different from conventional methods, syntheses in solution can produce particles with unprecedented control over their size, shape, crystal structure, composition, and surface chemistry. However, to date, most works have focused only on the low-cost benefits of this strategy. In this perspective, we first cover the opportunities that solution processing of the powder offers, emphasizing the potential structural features that can be controlled by precisely engineering the inorganic core of the particle, the surface, and the organization of the particles before consolidation. We then discuss the challenges of this synthetic approach and more practical matters related to solution processing. Finally, we suggest some good practices for adequate knowledge transfer and improving reproducibility among different laboratories."}],"publication_status":"published","pmid":1,"publication":"Chemistry of Materials","title":"Solution-processed inorganic thermoelectric materials: Opportunities and challenges","_id":"12237","oa":1,"ddc":["540"],"related_material":{"record":[{"id":"12885","status":"public","relation":"dissertation_contains"}]},"tmp":{"image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"year":"2022","citation":{"short":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, M. Ibáñez, Chemistry of Materials 34 (2022) 8471–8489.","chicago":"Fiedler, Christine, Tobias Kleinhanns, Maria Garcia, Seungho Lee, Mariano Calcabrini, and Maria Ibáñez. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>.","ista":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. 2022. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. 34(19), 8471–8489.","ieee":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, and M. Ibáñez, “Solution-processed inorganic thermoelectric materials: Opportunities and challenges,” <i>Chemistry of Materials</i>, vol. 34, no. 19. American Chemical Society, pp. 8471–8489, 2022.","ama":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. 2022;34(19):8471-8489. doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>","apa":"Fiedler, C., Kleinhanns, T., Garcia, M., Lee, S., Calcabrini, M., &#38; Ibáñez, M. (2022). Solution-processed inorganic thermoelectric materials: Opportunities and challenges. <i>Chemistry of Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">https://doi.org/10.1021/acs.chemmater.2c01967</a>","mla":"Fiedler, Christine, et al. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” <i>Chemistry of Materials</i>, vol. 34, no. 19, American Chemical Society, 2022, pp. 8471–89, doi:<a href=\"https://doi.org/10.1021/acs.chemmater.2c01967\">10.1021/acs.chemmater.2c01967</a>."},"quality_controlled":"1","author":[{"full_name":"Fiedler, Christine","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","first_name":"Christine","last_name":"Fiedler"},{"first_name":"Tobias","last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"last_name":"Garcia","first_name":"Maria","id":"6e5c50b8-97dc-11ed-be98-b0a74c84cae0","full_name":"Garcia, Maria"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","last_name":"Lee","first_name":"Seungho"},{"last_name":"Calcabrini","first_name":"Mariano","full_name":"Calcabrini, Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"}],"scopus_import":"1","publication_identifier":{"issn":["0897-4756"],"eissn":["1520-5002"]},"keyword":["Materials Chemistry","General Chemical Engineering","General Chemistry"],"external_id":{"isi":["000917837600001"],"pmid":["36248227"]},"file":[{"access_level":"open_access","file_name":"2022_ChemistryMaterials_Fiedler.pdf","checksum":"f7143e44ab510519d1949099c3558532","date_updated":"2023-01-30T07:35:09Z","file_id":"12434","success":1,"content_type":"application/pdf","creator":"dernst","file_size":10923495,"date_created":"2023-01-30T07:35:09Z","relation":"main_file"}],"date_published":"2022-09-20T00:00:00Z","page":"8471-8489","acknowledgement":"This work was financially supported by ISTA and the Werner Siemens Foundation. M.C. has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement no. 665385.","ec_funded":1,"department":[{"_id":"MaIb"}],"has_accepted_license":"1","doi":"10.1021/acs.chemmater.2c01967","language":[{"iso":"eng"}],"oa_version":"Published Version","type":"journal_article","date_updated":"2023-08-04T09:38:26Z","day":"20","article_processing_charge":"Yes (via OA deal)","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8"},{"article_type":"original","publisher":"Wiley","file_date_updated":"2023-02-02T08:01:00Z","issue":"35","volume":61,"article_number":"e202207002","status":"public","date_created":"2022-07-31T22:01:48Z","month":"08","isi":1,"intvolume":"        61","year":"2022","tmp":{"image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"author":[{"orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","last_name":"Chang"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","first_name":"Yu"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","first_name":"Seungho","last_name":"Lee"},{"full_name":"Spadaro, Maria","last_name":"Spadaro","first_name":"Maria"},{"first_name":"Kristopher M.","last_name":"Koskela","full_name":"Koskela, Kristopher M."},{"id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","full_name":"Kleinhanns, Tobias","first_name":"Tobias","last_name":"Kleinhanns"},{"orcid":"0000-0001-9732-3815","full_name":"Costanzo, Tommaso","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","last_name":"Costanzo","first_name":"Tommaso"},{"last_name":"Arbiol","first_name":"Jordi","full_name":"Arbiol, Jordi"},{"first_name":"Richard L.","last_name":"Brutchey","full_name":"Brutchey, Richard L."},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","first_name":"Maria","last_name":"Ibáñez"}],"quality_controlled":"1","citation":{"ama":"Chang C, Liu Y, Lee S, et al. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. <i>Angewandte Chemie - International Edition</i>. 2022;61(35). doi:<a href=\"https://doi.org/10.1002/anie.202207002\">10.1002/anie.202207002</a>","ieee":"C. Chang <i>et al.</i>, “Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance,” <i>Angewandte Chemie - International Edition</i>, vol. 61, no. 35. Wiley, 2022.","ista":"Chang C, Liu Y, Lee S, Spadaro M, Koskela KM, Kleinhanns T, Costanzo T, Arbiol J, Brutchey RL, Ibáñez M. 2022. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. Angewandte Chemie - International Edition. 61(35), e202207002.","chicago":"Chang, Cheng, Yu Liu, Seungho Lee, Maria Spadaro, Kristopher M. Koskela, Tobias Kleinhanns, Tommaso Costanzo, Jordi Arbiol, Richard L. Brutchey, and Maria Ibáñez. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” <i>Angewandte Chemie - International Edition</i>. Wiley, 2022. <a href=\"https://doi.org/10.1002/anie.202207002\">https://doi.org/10.1002/anie.202207002</a>.","short":"C. Chang, Y. Liu, S. Lee, M. Spadaro, K.M. Koskela, T. Kleinhanns, T. Costanzo, J. Arbiol, R.L. Brutchey, M. Ibáñez, Angewandte Chemie - International Edition 61 (2022).","mla":"Chang, Cheng, et al. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” <i>Angewandte Chemie - International Edition</i>, vol. 61, no. 35, e202207002, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/anie.202207002\">10.1002/anie.202207002</a>.","apa":"Chang, C., Liu, Y., Lee, S., Spadaro, M., Koskela, K. M., Kleinhanns, T., … Ibáñez, M. (2022). Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. <i>Angewandte Chemie - International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.202207002\">https://doi.org/10.1002/anie.202207002</a>"},"publication_status":"published","abstract":[{"text":"The broad implementation of thermoelectricity requires high-performance and low-cost materials. One possibility is employing surfactant-free solution synthesis to produce nanopowders. We propose the strategy of functionalizing “naked” particles’ surface by inorganic molecules to control the nanostructure and, consequently, thermoelectric performance. In particular, we use bismuth thiolates to functionalize surfactant-free SnTe particles’ surfaces. Upon thermal processing, bismuth thiolates decomposition renders SnTe-Bi2S3 nanocomposites with synergistic functions: 1) carrier concentration optimization by Bi doping; 2) Seebeck coefficient enhancement and bipolar effect suppression by energy filtering; and 3) lattice thermal conductivity reduction by small grain domains, grain boundaries and nanostructuration. Overall, the SnTe-Bi2S3 nanocomposites exhibit peak z T up to 1.3 at 873 K and an average z T of ≈0.6 at 300–873 K, which is among the highest reported for solution-processed SnTe.","lang":"eng"}],"project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications"},{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"oa":1,"ddc":["540"],"_id":"11705","publication":"Angewandte Chemie - International Edition","title":"Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance","date_published":"2022-08-26T00:00:00Z","file":[{"file_name":"2022_AngewandteChemieInternat_Chang.pdf","checksum":"ad601f2b9e26e46ab4785162be58b5ed","access_level":"open_access","success":1,"file_id":"12476","date_updated":"2023-02-02T08:01:00Z","file_size":4072650,"content_type":"application/pdf","creator":"dernst","relation":"main_file","date_created":"2023-02-02T08:01:00Z"}],"external_id":{"isi":["000828274200001"]},"publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"scopus_import":"1","day":"26","date_updated":"2023-08-03T12:23:52Z","type":"journal_article","oa_version":"Published Version","article_processing_charge":"Yes (via OA deal)","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","acknowledgement":"This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Lise Meitner Project (M2889-N). Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. R.L.B. thanks the National Science Foundation for support under DMR-1904719. MCS acknowledge MINECO Juan de la Cierva Incorporation fellowship (JdlCI 2019) and Severo Ochoa. M.C.S. and J.A. acknowledge funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya.","doi":"10.1002/anie.202207002","language":[{"iso":"eng"}],"has_accepted_license":"1","department":[{"_id":"MaIb"},{"_id":"EM-Fac"}],"ec_funded":1,"acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}]},{"intvolume":"         6","isi":1,"month":"01","date_created":"2021-02-14T23:01:14Z","status":"public","issue":"2","volume":6,"file_date_updated":"2021-02-17T07:36:52Z","publisher":"American Chemical Society","article_type":"original","publication":"ACS Energy Letters","title":"Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites","_id":"9118","oa":1,"ddc":["540"],"related_material":{"record":[{"id":"12885","status":"public","relation":"dissertation_contains"}]},"project":[{"call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","grant_number":"665385","name":"International IST Doctoral Program"}],"abstract":[{"lang":"eng","text":"Cesium lead halides have intrinsically unstable crystal lattices and easily transform within perovskite and nonperovskite structures. In this work, we explore the conversion of the perovskite CsPbBr3 into Cs4PbBr6 in the presence of PbS at 450 °C to produce doped nanocrystal-based composites with embedded Cs4PbBr6 nanoprecipitates. We show that PbBr2 is extracted from CsPbBr3 and diffuses into the PbS lattice with a consequent increase in the concentration of free charge carriers. This new doping strategy enables the adjustment of the density of charge carriers between 1019 and 1020 cm–3, and it may serve as a general strategy for doping other nanocrystal-based semiconductors."}],"publication_status":"published","citation":{"ista":"Calcabrini M, Genc A, Liu Y, Kleinhanns T, Lee S, Dirin DN, Akkerman QA, Kovalenko MV, Arbiol J, Ibáñez M. 2021. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. ACS Energy Letters. 6(2), 581–587.","short":"M. Calcabrini, A. Genc, Y. Liu, T. Kleinhanns, S. Lee, D.N. Dirin, Q.A. Akkerman, M.V. Kovalenko, J. Arbiol, M. Ibáñez, ACS Energy Letters 6 (2021) 581–587.","chicago":"Calcabrini, Mariano, Aziz Genc, Yu Liu, Tobias Kleinhanns, Seungho Lee, Dmitry N. Dirin, Quinten A. Akkerman, Maksym V. Kovalenko, Jordi Arbiol, and Maria Ibáñez. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” <i>ACS Energy Letters</i>. American Chemical Society, 2021. <a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">https://doi.org/10.1021/acsenergylett.0c02448</a>.","ieee":"M. Calcabrini <i>et al.</i>, “Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites,” <i>ACS Energy Letters</i>, vol. 6, no. 2. American Chemical Society, pp. 581–587, 2021.","ama":"Calcabrini M, Genc A, Liu Y, et al. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. <i>ACS Energy Letters</i>. 2021;6(2):581-587. doi:<a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">10.1021/acsenergylett.0c02448</a>","apa":"Calcabrini, M., Genc, A., Liu, Y., Kleinhanns, T., Lee, S., Dirin, D. N., … Ibáñez, M. (2021). Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. <i>ACS Energy Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">https://doi.org/10.1021/acsenergylett.0c02448</a>","mla":"Calcabrini, Mariano, et al. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” <i>ACS Energy Letters</i>, vol. 6, no. 2, American Chemical Society, 2021, pp. 581–87, doi:<a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">10.1021/acsenergylett.0c02448</a>."},"quality_controlled":"1","author":[{"full_name":"Calcabrini, Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano","last_name":"Calcabrini"},{"last_name":"Genc","first_name":"Aziz","full_name":"Genc, Aziz"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","last_name":"Liu","first_name":"Yu"},{"last_name":"Kleinhanns","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","full_name":"Kleinhanns, Tobias"},{"last_name":"Lee","first_name":"Seungho","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Dirin, Dmitry N.","first_name":"Dmitry N.","last_name":"Dirin"},{"first_name":"Quinten A.","last_name":"Akkerman","full_name":"Akkerman, Quinten A."},{"full_name":"Kovalenko, Maksym V.","first_name":"Maksym V.","last_name":"Kovalenko"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"}],"tmp":{"image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"year":"2021","scopus_import":"1","publication_identifier":{"eissn":["2380-8195"]},"file":[{"file_size":5071201,"creator":"dernst","content_type":"application/pdf","date_created":"2021-02-17T07:36:52Z","relation":"main_file","access_level":"open_access","checksum":"6fa7374bf8b95fdfe6e6c595322a6689","file_name":"2021_ACSEnergyLetters_Calcabrini.pdf","date_updated":"2021-02-17T07:36:52Z","file_id":"9155","success":1}],"external_id":{"isi":["000619803400036"]},"date_published":"2021-01-20T00:00:00Z","page":"581-587","ec_funded":1,"has_accepted_license":"1","department":[{"_id":"MaIb"}],"doi":"10.1021/acsenergylett.0c02448","language":[{"iso":"eng"}],"acknowledgement":"M.C. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. ICN2\r\nacknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 − ESTEEM3. M.V.K. acknowledges the support by the European Research Council under the Horizon 2020 Framework Program (ERC Consolidator Grant SCALEHALO\r\nGrant Agreement No. 819740) and by FET-OPEN project no. 862656 (DROP-IT).","article_processing_charge":"Yes (via OA deal)","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","oa_version":"Published Version","date_updated":"2023-08-07T13:46:00Z","type":"journal_article","day":"20"},{"department":[{"_id":"EM-Fac"},{"_id":"MaIb"}],"has_accepted_license":"1","language":[{"iso":"eng"}],"doi":"10.1002/adma.202106858","ec_funded":1,"acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"acknowledgement":"Y.L. and M.C. contributed equally to this work. This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. M.C. has received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N.","article_processing_charge":"Yes (via OA deal)","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","day":"29","oa_version":"Published Version","type":"journal_article","date_updated":"2023-08-14T07:25:27Z","scopus_import":"1","publication_identifier":{"issn":["0935-9648"],"eissn":["1521-4095"]},"file":[{"access_level":"open_access","checksum":"990bccc527c64d85cf1c97885110b5f4","file_name":"2021_AdvancedMaterials_Liu.pdf","date_updated":"2022-02-03T13:16:14Z","file_id":"10720","success":1,"creator":"cchlebak","content_type":"application/pdf","file_size":5595666,"date_created":"2022-02-03T13:16:14Z","relation":"main_file"}],"external_id":{"isi":["000709899300001"],"pmid":["34626034"]},"keyword":["mechanical engineering","mechanics of materials","general materials science"],"date_published":"2021-12-29T00:00:00Z","_id":"10123","oa":1,"ddc":["620"],"related_material":{"record":[{"id":"12885","status":"public","relation":"dissertation_contains"}]},"pmid":1,"title":"The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe","publication":"Advanced Materials","abstract":[{"lang":"eng","text":"Solution synthesis of particles emerged as an alternative to prepare thermoelectric materials with less demanding processing conditions than conventional solid-state synthetic methods. However, solution synthesis generally involves the presence of additional molecules or ions belonging to the precursors or added to enable solubility and/or regulate nucleation and growth. These molecules or ions can end up in the particles as surface adsorbates and interfere in the material properties. This work demonstrates that ionic adsorbates, in particular Na⁺ ions, are electrostatically adsorbed in SnSe particles synthesized in water and play a crucial role not only in directing the material nano/microstructure but also in determining the transport properties of the consolidated material. In dense pellets prepared by sintering SnSe particles, Na remains within the crystal lattice as dopant, in dislocations, precipitates, and forming grain boundary complexions. These results highlight the importance of considering all the possible unintentional impurities to establish proper structure-property relationships and control material properties in solution-processed thermoelectric materials."}],"publication_status":"published","project":[{"name":"International IST Doctoral Program","grant_number":"665385","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships"},{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"author":[{"first_name":"Yu","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740"},{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","full_name":"Calcabrini, Mariano","orcid":"0000-0003-4566-5877","last_name":"Calcabrini","first_name":"Mariano"},{"full_name":"Yu, Yuan","first_name":"Yuan","last_name":"Yu"},{"full_name":"Genç, Aziz","last_name":"Genç","first_name":"Aziz"},{"orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","last_name":"Chang","first_name":"Cheng"},{"first_name":"Tommaso","last_name":"Costanzo","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","orcid":"0000-0001-9732-3815","full_name":"Costanzo, Tommaso"},{"first_name":"Tobias","last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"last_name":"Lee","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho"},{"full_name":"Llorca, Jordi","last_name":"Llorca","first_name":"Jordi"},{"full_name":"Cojocaru‐Mirédin, Oana","last_name":"Cojocaru‐Mirédin","first_name":"Oana"},{"first_name":"Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"}],"quality_controlled":"1","citation":{"mla":"Liu, Yu, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>, vol. 33, no. 52, 2106858, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/adma.202106858\">10.1002/adma.202106858</a>.","apa":"Liu, Y., Calcabrini, M., Yu, Y., Genç, A., Chang, C., Costanzo, T., … Ibáñez, M. (2021). The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. <i>Advanced Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adma.202106858\">https://doi.org/10.1002/adma.202106858</a>","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Aziz Genç, Cheng Chang, Tommaso Costanzo, Tobias Kleinhanns, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” <i>Advanced Materials</i>. Wiley, 2021. <a href=\"https://doi.org/10.1002/adma.202106858\">https://doi.org/10.1002/adma.202106858</a>.","short":"Y. Liu, M. Calcabrini, Y. Yu, A. Genç, C. Chang, T. Costanzo, T. Kleinhanns, S. Lee, J. Llorca, O. Cojocaru‐Mirédin, M. Ibáñez, Advanced Materials 33 (2021).","ista":"Liu Y, Calcabrini M, Yu Y, Genç A, Chang C, Costanzo T, Kleinhanns T, Lee S, Llorca J, Cojocaru‐Mirédin O, Ibáñez M. 2021. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials. 33(52), 2106858.","ama":"Liu Y, Calcabrini M, Yu Y, et al. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. <i>Advanced Materials</i>. 2021;33(52). doi:<a href=\"https://doi.org/10.1002/adma.202106858\">10.1002/adma.202106858</a>","ieee":"Y. Liu <i>et al.</i>, “The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe,” <i>Advanced Materials</i>, vol. 33, no. 52. Wiley, 2021."},"year":"2021","tmp":{"image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"isi":1,"intvolume":"        33","status":"public","article_number":"2106858","month":"12","date_created":"2021-10-11T20:07:24Z","volume":33,"issue":"52","article_type":"original","publisher":"Wiley","file_date_updated":"2022-02-03T13:16:14Z"},{"publisher":"Elsevier","article_type":"original","issue":"11","volume":77,"month":"11","date_created":"2020-08-02T22:00:57Z","article_number":"105116","status":"public","intvolume":"        77","isi":1,"year":"2020","citation":{"apa":"Yu, X., Liu, J., Li, J., Luo, Z., Zuo, Y., Xing, C., … Cabot, A. (2020). Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. <i>Nano Energy</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.nanoen.2020.105116\">https://doi.org/10.1016/j.nanoen.2020.105116</a>","mla":"Yu, Xiaoting, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic Ethanol Oxidation.” <i>Nano Energy</i>, vol. 77, no. 11, 105116, Elsevier, 2020, doi:<a href=\"https://doi.org/10.1016/j.nanoen.2020.105116\">10.1016/j.nanoen.2020.105116</a>.","ieee":"X. Yu <i>et al.</i>, “Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation,” <i>Nano Energy</i>, vol. 77, no. 11. Elsevier, 2020.","ama":"Yu X, Liu J, Li J, et al. Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. <i>Nano Energy</i>. 2020;77(11). doi:<a href=\"https://doi.org/10.1016/j.nanoen.2020.105116\">10.1016/j.nanoen.2020.105116</a>","chicago":"Yu, Xiaoting, Junfeng Liu, Junshan Li, Zhishan Luo, Yong Zuo, Congcong Xing, Jordi Llorca, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic Ethanol Oxidation.” <i>Nano Energy</i>. Elsevier, 2020. <a href=\"https://doi.org/10.1016/j.nanoen.2020.105116\">https://doi.org/10.1016/j.nanoen.2020.105116</a>.","short":"X. Yu, J. Liu, J. Li, Z. Luo, Y. Zuo, C. Xing, J. Llorca, D. Nasiou, J. Arbiol, K. Pan, T. Kleinhanns, Y. Xie, A. Cabot, Nano Energy 77 (2020).","ista":"Yu X, Liu J, Li J, Luo Z, Zuo Y, Xing C, Llorca J, Nasiou D, Arbiol J, Pan K, Kleinhanns T, Xie Y, Cabot A. 2020. Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. Nano Energy. 77(11), 105116."},"quality_controlled":"1","author":[{"full_name":"Yu, Xiaoting","last_name":"Yu","first_name":"Xiaoting"},{"full_name":"Liu, Junfeng","first_name":"Junfeng","last_name":"Liu"},{"first_name":"Junshan","last_name":"Li","full_name":"Li, Junshan"},{"full_name":"Luo, Zhishan","last_name":"Luo","first_name":"Zhishan"},{"last_name":"Zuo","first_name":"Yong","full_name":"Zuo, Yong"},{"last_name":"Xing","first_name":"Congcong","full_name":"Xing, Congcong"},{"full_name":"Llorca, Jordi","last_name":"Llorca","first_name":"Jordi"},{"first_name":"Déspina","last_name":"Nasiou","full_name":"Nasiou, Déspina"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"first_name":"Kai","last_name":"Pan","full_name":"Pan, Kai"},{"first_name":"Tobias","last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"full_name":"Xie, Ying","last_name":"Xie","first_name":"Ying"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"abstract":[{"lang":"eng","text":"Direct ethanol fuel cells (DEFCs) show a huge potential to power future electric vehicles and portable electronics, but their deployment is currently limited by the unavailability of proper electrocatalysis for the ethanol oxidation reaction (EOR). In this work, we engineer a new electrocatalyst by incorporating phosphorous into a palladium-tin alloy and demonstrate a significant performance improvement toward EOR. We first detail a synthetic method to produce Pd2Sn:P nanocrystals that incorporate 35% of phosphorus. These nanoparticles are supported on carbon black and tested for EOR. Pd2Sn:P/C catalysts exhibit mass current densities up to 5.03 A mgPd−1, well above those of Pd2Sn/C, PdP2/C and Pd/C reference catalysts. Furthermore, a twofold lower Tafel slope and a much longer durability are revealed for the Pd2Sn:P/C catalyst compared with Pd/C. The performance improvement is rationalized with the aid of density functional theory (DFT) calculations considering different phosphorous chemical environments. Depending on its oxidation state, surface phosphorus introduces sites with low energy OH− adsorption and/or strongly influences the electronic structure of palladium and tin to facilitate the oxidation of the acetyl to acetic acid, which is considered the EOR rate limiting step. DFT calculations also points out that the durability improvement of Pd2Sn:P/C catalyst is associated to the promotion of OH adsorption that accelerates the oxidation of intermediate poisoning COads, reactivating the catalyst surface."}],"publication_status":"published","title":"Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation","publication":"Nano Energy","_id":"8189","external_id":{"isi":["000581738300030"]},"date_published":"2020-11-01T00:00:00Z","scopus_import":"1","publication_identifier":{"issn":["2211-2855"]},"oa_version":"None","date_updated":"2023-08-22T08:24:05Z","type":"journal_article","day":"01","article_processing_charge":"No","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","acknowledgement":"This work was supported by the European Regional Development Funds and by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP, ENE2016- 77798-C4-3-R, and ENE2017-85087-C3. X. Y. thanks the China Scholarship Council for the scholarship support. J. Liu acknowledges support from the Jiangsu University Foundation (4111510011). J. Li obtained International Postdoctoral Exchange Fellowship Program (Talent-Introduction program) in 2019 and is grateful for the project (2019M663468) funded by the China Postdoctoral Science Foundation. Authors acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246, and from IST Austria. ICN2 acknowledges the support from the Severo Ochoa Programme (MINECO, grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. J. Llorca is a Serra Húnter Fellow and is grateful to MICINN/FEDER RTI2018-093996-B-C31, GC 2017 SGR 128 and to ICREA Academia program.","department":[{"_id":"MaIb"}],"language":[{"iso":"eng"}],"doi":"10.1016/j.nanoen.2020.105116"}]