Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy

A. M.-G. thanks the support to the Spanish MICIN and AEI (https://doi.org/10.13039/501100011033) through the projects PID2020-115293RJ-I00, PID2021-126076NB-I00, TED2021-129506B-C22, and María de Maeztu CEX2021-001202-M. This work was granted access to the HPC resources of TGCC under the allocation 2021-A01008104333 made by GENCI. D. E. thanks the financial support from the Spanish Research Agency (AEI) and Spanish Ministry of Science and Investigation (MCIN) under projects PID2019106383GB-C41 and PID2022-138076NB-C41 (https://doi.org/10.13039/501100011033) and MALTA Consolider Team network, under projects RED2018-102612-T and RED2022-134388-T. This study forms part of the Advanced Materials Programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat Valenciana (Grant MFA/2022/007). R. F. acknowledges financial support from the Spanish National Research Agency (AEI) through projects PID2021-122588-NB-C21...