@misc{GonzalezCastanoIvanovaIoanidesetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Ivanova, Svetlana and Ioanides, Theophiles and Centeno, Miguel Angel and Arellano-Garc{\´i}a, Harvey and Odriozola, Jos{\´e} Antonio}, title = {Zr and Fe on Pt/CeO2-MOx/Al2O3 catalysts for WGS reaction}, series = {International Journal of Energy Research}, journal = {International Journal of Energy Research}, issn = {1099-114X}, doi = {10.1002/er.6646}, pages = {12}, abstract = {By evaluating the functional modifications induced by Zr and Fe as dopants in Pt/CeO2-MOx/Al2O3 catalysts (M = Fe and Zr), the key features for improving water gas shift (WGS) performance for these systems have been addressed. Pt/ceria intrinsic WGS activity is often related to improved H2 surface dynamics, H2O absorption, retentions and dissociation capacities which are influenced greatly by the support nature. Two metals, iron and zirconia, were chosen as ceria dopants in this work, either in separate manner or combined. Iron incorporation resulted in CO-redox properties and oxygen storage capacities (OSC) improvement but the formation of Ce-Fe solid solutions did not offer any catalytic benefit, while the Zr incorporation influenced in a great manner surface electron densities and shows higher catalytic activity. When combined both metals showed an important synergy evidenced by 30\% higher CO conversions and attributed to greater surface electron densities population and therefore absorption and activity. This work demonstrates that for Pt/ceria catalysts OSC enhancement does not necessarily imply a catalytic promotion.}, language = {en} } @misc{BobadillaAzancotLuqueAlvarezetal., author = {Bobadilla, Luis F. and Azancot, Lola and Luque-Alvarez, Ligia A. and Torres-Sempere, Guillermo and Gonzalez-Castano, Miriam and Pastor-Perez, Laura and Yu, Jie and Ramirez Reina, Tomas and Ivanova, Svetlana and Centeno, Miguel Angel and Odriozola, Jos{\´e} Antonio}, title = {Development of Power-to-X Catalytic Processes for CO2 Valorisation: From the Molecular Level to the Reactor Architecture}, series = {Chemistry}, volume = {4}, journal = {Chemistry}, number = {4}, issn = {2624-8549}, doi = {10.3390/chemistry4040083}, pages = {1250 -- 1280}, abstract = {Nowadays, global climate change is likely the most compelling problem mankind is facing. In this scenario, decarbonisation of the chemical industry is one of the global challenges that the scientific community needs to address in the immediate future. Catalysis and catalytic processes are called to play a decisive role in the transition to a more sustainable and low-carbon future. This critical review analyses the unique advantages of structured reactors (isothermicity, a wide range of residence times availability, complex geometries) with the multifunctional design of efficient catalysts to synthesise chemicals using CO2 and renewable H2 in a Power-to-X (PTX) strategy. Fine-chemistry synthetic methods and advanced in situ/operando techniques are essential to elucidate the changes of the catalysts during the studied reaction, thus gathering fundamental information about the active species and reaction mechanisms. Such information becomes crucial to refine the catalyst's formulation and boost the reaction's performance. On the other hand, reactors architecture allows flow pattern and temperature control, the management of strong thermal effects and the incorporation of specifically designed materials as catalytically active phases are expected to significantly contribute to the advance in the valorisation of CO2 in the form of high added-value products. From a general perspective, this paper aims to update the state of the art in Carbon Capture and Utilisation (CCU) and PTX concepts with emphasis on processes involving the transformation of CO2 into targeted fuels and platform chemicals, combining innovation from the point of view of both structured reactor design and multifunctional catalysts development.}, language = {en} } @misc{RiedelSchowarteSemischetal., author = {Riedel, Ramona and Schowarte, Julia and Semisch, Laura and Gonzalez Castano, Miriam and Ivanova, Svetlana and Martienssen, Marion and Arellano-Garcia, Harvey}, title = {Improving the photocatalytic degradation of EDTMP: Effect of doped NPs (Na, Y, and K) into the lattice of modified Au/TiO2 nano-catalysts}, series = {Chemical Engineering Journal}, volume = {506}, journal = {Chemical Engineering Journal}, doi = {https://doi.org/10.1016/j.cej.2025.160109}, pages = {14}, abstract = {This study presents the photocatalytic degradation of the aminophosphonate ethylenediaminetetra(methylenephosphonic acid) (EDTMP) with a range of different doped nanoparticles (NP). The photocatalysts were based on TiO2 benchmark P25 and gold (Au) doped either with sodium (Na), potassium (K) or yttrium (Y). The synthesized photocatalysts were characterized via TEM, XRF, XRD, UV-DRS (band gap estimation) and N2-physisorption. Photocatalytic pre-screening at pH values of 3, 7 and 10 indicated highest o-PO4 release of EDTMP at pH 7 and 10 for NP either doped with K or Y. The results of LC/MS analysis showed that the NPs doped with 5 \% Y (Au2/Y5/P25) resulted in the fastest degradation of EDTMP. The target compound was completely degraded within 60 min, 4 times faster than photochemical treatment of unadulterated EDTMP. Importantly, also the transformation products were accelerated by the photocatalytic treatment with Au2/P25 either doped with 5 \% Y or 10 \% K. The results of scavenger experiments indicated that the enhanced photocatalytic degradation of EDTMP is primarily attributable to the presence of hydroxyl radicals in the bulk and to a lesser extent to •O2- and electron-holes (h+) at the surface of the catalysts. The study demonstrates that the catalytic efficiency of TiO2 nanocomposites is significantly influenced by the choice of dopants, which affect particle size, band gap, and photocatalytic activity. Yttrium at low concentrations (i.e., 5 wt\% Y) doping emerged as particularly effective, enhancing both the visible light absorption and h+ separation, leading to superior photocatalytic performance in the degradation of EDTMP. The Au content also plays a crucial role in enhancing the photocatalytic efficiency. However, the combination of Au and Na doping was found to be less effective for this photocatalysis in aqueous media, potentially due to larger particle sizes and insufficient dopant contents. In conclusion, the findings emphasise the necessity of optimising both the selection of dopants and the design of catalysts in order to enhance photocatalytic applications.}, language = {en} }