Resultados de investigación

This research was funded by the Spanish Ministry of Science and Innovation/FEDER funds Grant PID2020-116261GB-I00/AEI/10.13039/501100011033 (JAG), by the European Regional Development Fund Andalucía 2014–2020 Grant UAL18-CTS-B032-A (FRV) and by the Own Research and Transfer Plan 2020 of the University of Almeria Grant PPUENTE2020/006 (FJLHV). European Synchrotron Radiation Facility (ESRF), Grenoble, France, proposal MX2353ESRF, Peer reviewed

Description of methods used for collection/generation of data: Single Crystal X-ray diffraction (MX) data collection at synchrotron source i.e. ESRF beam line . Methods for processing the data: Diffraction data from the latter radiation source were used for structuredetermination. Data were indexed and integrated with XDS, and scaled and reduced with AIMLESS of the CCP4 program suite. Phases were determined by molecular replacement using Molrep and rather refined with Refmac and phenix.refine of the PHENIX suite., This work was supported by the Spanish Ministry of Science and Innovation/FEDER funds Grant PID2020-116261GB-I00/AEI/10.13039/501100011033 (JAG). SMR is grateful to the Andalusian Regional Government through the Endocrinology and Metabolism Group (CTS-202) and to University of Granada “Plan Propio de Investigación de la UGR” (PP2022.PP.18). ACA is grateful to Junta de Andalucía (PY20_00149). European Synchrotron Radiation Facility (ESRF), Grenoble, France, proposal MX2353 and MX2454 and Spanish Synchrotron Light Facility (ALBA), Barcelona, Spain, proposal 022086950, Peer reviewed

Description of methods used for collection/generation of data: Single Crystal X-ray diffraction (MX) data collection at synchrotron source i.e. ESRF beam line . Methods for processing the data: Diffraction data from the latter radiation source were used for structuredetermination. Data were indexed and integrated with XDS, and scaled and reduced with AIMLESS of the CCP4 program suite. Phases were determined by molecular replacement using Molrep and rather refined with Refmac and phenix.refine of the PHENIX suite., This work was supported by the Spanish Ministry for Science, Innovation and Universities/Agencia Estatal de Investigación https://doi.org/10. 13039/501100011033 (grants PID2020-112612GB-I00 to T.K., PID2019- 103972GA-I00 to M.A.M. and PID2020-116261GB-I00 to J.A.G.), the Junta de Andalucía (grant P18-FR-1621 to T.K.), CSIC (grant 2023AEP002 to M.A.M.) and the NIH (grant 1R35GM131760 to I.B.Z.). Spanish synchrotron ALBA at beamline XALOC., Peer reviewed

[EN] EXAFS data treatment. XAS data have been processed according to standard procedure. Ni K edge spectra have been normalized by calculating and subtracting pre-edge and post-edge backgrounds as low order polynomial smooth curves. The corresponding EXAFS signal has been then extracted, k-squared weighted, and Fourier transformed (FT). Metallic Ni foil and NiO have been considered as the starting point for EXAFS data modelling, providing the theoretical phases and amplitudes of the scattering paths by means of self-consistent ab-initio calculations performed with FEFFlite code . To get more robust determination of the EXAFS structural parameters, we performed a unique fit on the XX spectra, using a customized python script based on IFEFFIT code . For each spectrum of the dataset, we considered as fitting parameters 2 coordination numbers (NNi-Ni, NNi-O) and two correction factors for interatomic distances (RNi-Ni and RNi-O). Due to the limited k range available and the strong inter-correlation between the fitting parameters, we decided to use only two disorder parameters (𝜎2Ni-Ni and 𝜎2Ni-O) kept common for all the spectra in the dataset. Finally, we fit the energy correction to photoelectron reference ΔE0 and the passive electron reduction factors S02, again common to all the spectra. Figure S6. k2-weighted modulus and imaginary part of Fourier transforms of Ni K-edge EXAFS spectra in R space for the catalyst just after reaching 873 K under the CO2+H2 reaction mixture (blue) with their curve fitting results (red)., MCIN/AEI/10.13039/501100011033 and by ERDF/UE. Project reference: PID2021-123287OB-I00, Supplementary material, Peer reviewed

SI.1 Spectra of catalytic gel dried at 100 ºC. Samples 100-800 exhibit spectra similar to those of 220-800, while sample 100-900 shows no significant signals., European Ceramic Society; European Research Council, Peer reviewed

Assessment of thermo-mechanical phenomena in Si-based diodes via operando confocal Raman microscopy, This work was supported by the Spanish Ministry for Science and Innovation (MCIN) under the projects PID2021-124585NB-C33 funded by MCIN/AEI/ 10.13039/501100011033 and by “European Union NextGenerationEU/PRTR” and PID2020-114192RB-C41 funded by MCIN/AEI/ 10.13039/501100011033. S.R.-S. acknowledges the financial support from the FARDIO project to SEG Automotive Germany GmbH. A.S. acknowledges financial support from grant RYC2021–031236-I funded by MCIN/AEI/10.13039/501100011033 and by the “European Union NextGenerationEU/PRTR”., Peer reviewed

Basic identification of the crystal structure of BiT samples; detail of the morphology of the Flaky-like domains; basic identification of the morphology and crystal structure of BIT and BIT-T Ceramics; stress Distribution in 180° Domain Structures of BIT Ceramic Grains; phase Transition Characterization and Functional Correlations in BiT and BiT-T Ceramics., Financial support from the Spanish Ministry of Science and Innovation through PID2020-114192RB-C41 and TED2021–130957B-C51 projects. F. R-M. is indebted to Comunidad de Madrid for the financial support through the Doctorados Industriales project (IND2020/IND-17375), which is co-financed by the European Social Fund. J. L.-S. acknowledges the financial support from grant RYC2022–035912-I funded by MCIU/AEI/10.13039/501100011033 and by the European Social Fund Plus (ESF+)., Peer reviewed

[EN] High resolution X-ray diffraction set-up configurations; magnetic Features of the Multiferroic Fe3O4/BaTiO3 Heterostructure as a Function of the Output Laser Power; BaTiO3 crystal structures depending on the thermal range. Stable Incommensurate Growth with Green Light Exposure. Calculated in-plane and out-of-plane crystalline domain and cell parameters of the Fe3O4 thin film retrieved from RSM analyses. Impact of Light on Isolated Fe3O4 Structure by XPS, Financial support from the Spanish Ministry of Science and Innovation through PID2020-114192RB-C41 projects is grateful. We also acknowledge project TED2021-130957B-C51, funded by the Spanish Ministry of Science and Innovation. F.R.-M. is indebted to Comunidad de Madrid for the financial support through the Doctorados Industriales project (IND2020/IND-17375), which is cofinanced by the European Social Fund. The authors also acknowledge the provision of the SpLine CRG BM25 beamline under project MA-5601 at the European Synchrotron Radiation Facility (ESRF), located in Grenoble (France). We also acknowledge MCIN and CSIC for funding through the projects PIE 2010 6 0E 013 and PIE 2021 60 E 030. J.L.-S. acknowledges the financial support from the Spanish Ministry of Economic Affairs and Digital Transformation (MINECO) through the project PID2021-122980OB-C5 and from grant RYC2022-035912-I funded by MCIU/AEI/10.13039/501100011033 and by the European Social Fund Plus (ESF+)., Peer reviewed

Supplementary material., S. L-B. thanks Agència de Gestió d’Ajuts Universitaris i de Recerca (AGAUR), Catalonia, Spain, for the FI-SDUR contract (2020 FISDU 00489). F. R-M. acknowledges the financial support from the Spanish Ministry of Science and Innovation through PID2020-114192RB-C41 and TED2021-130957B-C51 projects. F. R-M. is also indebted to Comunidad de Madrid for the financial support through the Doctorados Industriales project (IND2020/IND-17375), which is co-financed by the European Social Fund., Peer reviewed

The authors declare that the main data supporting the findings of this study are available within the article and its Supplementary Information files. The CIF File for TG-PD COF is available through Figshare (https://figshare.com/articles/dataset/TGPD_COF_cif/27222555?file=49774302). Extra data are available from the corresponding author upon request., This work was funded by New York University Abu Dhabi and the NYUAD Water Research Center funded by Tamkeen under the NYUAD Research Institute Award (project CG007), we thank them for their generous support. A.T. thanks Sandooq Al Watan (Grant No. SWARD-S22-014, Project ID: PRJ-SWARD-628), and ASPIRE (AARE20−116) for their generous support. The research work was carried out by using the Core Technology Platform resources at New York University Abu Dhabi. Computational research was carried out on the High-Performance Computing resources at New York University Abu Dhabi. The authors thank graphic designer Aisha Jrad for her contribution to the adsorption schemes., Peer reviewed