{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T20:59:19Z","timestamp":1774126759285,"version":"3.50.1"},"posted":{"date-parts":[[2026]]},"group-title":"SSRN","reference-count":101,"publisher":"Elsevier BV","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"abstract":"<jats:p>Building fa\u00e7ades are continuously exposed to airborne pollutants, leading to surface staining, degradation and increased maintenance. To mitigate these effects, a defect-engineering approach is applied to create calcium- and magnesium-incorporated titanium dioxide (TiO\u2082) nanomaterials for self-cleaning fa\u00e7ades. A rapid microwave-assisted solvothermal route yields phase-pure anatase nanopowders that are translated into spray-coated films on thermoplastic polyolefin (TPO), a flexible and 100% recyclable polymer substrate relevant to fa\u00e7ade components. X-ray diffraction (XRD) confirms anatase for all nanopowders and indicates that incorporation does not lead to secondary crystalline phases. Microstructural analysis by scanning electron microscopy (SEM) shows incorporation-driven particle refinement, with particle size decreasing from 20.1 nm for TiO\u2082 to 12.5 nm for Ca-TiO\u2082 and 13.5 nm for Mg-TiO\u2082. Consistently, the specific surface area increases from 137.8 m\u00b2\u00b7g\u207b\u00b9 for TiO\u2082 to 237.3 m\u00b2\u00b7g\u207b\u00b9 for Ca-TiO\u2082 and 235.6 m\u00b2\u00b7g\u207b\u00b9 for Mg-TiO\u2082. Optical analysis reveals a blue shift of the absorption edge, most pronounced for Ca-TiO\u2082 nanomaterial. X-ray photoelectron spectroscopy (XPS) confirms incorporation of Ca and Mg, and O 1s deconvolution indicates Ca\u2013O-related environments together with increased reactive oxygen\/hydroxyl species. Density functional theory (DFT) supports a defect-driven mechanism, predicting that calcium promotes oxygen-vacancy formation more strongly than magnesium. Under simulated solar irradiation, Ca-TiO\u2082 exhibits the highest photocatalytic performance, achieving ~97% Rhodamine B degradation and outperforming TiO\u2082 and Mg-TiO\u2082. Ca-TiO\u2082 also shows the strongest photoinduced hydrophilicity, lowering the water contact angle from ~84\u00b0 to ~40\u00b0 after ultraviolet activation. Overall, earth-abundant calcium incorporation emerges as a practical alternative for durable self-cleaning coatings for fa\u00e7ade-oriented smart materials.<\/jats:p>","DOI":"10.2139\/ssrn.6451792","type":"posted-content","created":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T20:41:57Z","timestamp":1774125717000},"source":"Crossref","is-referenced-by-count":0,"title":["Calcium and Magnesium Incorporation in TiO\u2082: Defect Driven Photocatalysis and Self-Cleaning Performance for Smart Fa\u00e7ade Coatings"],"prefix":"10.2139","author":[{"given":"Maria","family":"Magalh\u00e3es","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9600-453X","authenticated-orcid":true,"given":"Maria Leonor","family":"Matias","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1236-9262","authenticated-orcid":true,"given":"Ana","family":"Pimentel","sequence":"additional","affiliation":[]},{"given":"Pedro","family":"Barquinha","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5956-5757","authenticated-orcid":true,"given":"Emanuel","family":"Carlos","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6545-073X","authenticated-orcid":true,"given":"Auguste","family":"Fernandes","sequence":"additional","affiliation":[]},{"given":"Diana","family":"Gon\u00e7alves","sequence":"additional","affiliation":[]},{"given":"Aureliano","family":"Fertuzinhos","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2764-3124","authenticated-orcid":true,"given":"Jonas","family":"Deuermeier","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5099-7772","authenticated-orcid":true,"given":"Jos\u00e9  D.","family":"Gouveia","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4202-7047","authenticated-orcid":true,"given":"Elvira","family":"Fortunato","sequence":"additional","affiliation":[]},{"given":"Rodrigo","family":"Martins","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3115-6588","authenticated-orcid":true,"given":"Daniela","family":"Nunes","sequence":"additional","affiliation":[]}],"member":"78","reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1016\/j.buildenv.2013.10.005","article-title":"Durability of self-cleaning TiO2 coatings on fired clay brick fa\ufffdades: Effects of UV exposure and wet & dry cycles","volume":"71","author":"L Graziani","year":"2014","journal-title":"Build. 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