Heterogenized PCP Pd Pincer Complexes for the Arylation of Styrenes With Iodonium Salts Davi S. Leite, Guilherme B. Strapasson, Leonardo S. Sousa, Renato P. Murback Filho, Marcos de Oliveira Junior, Julio C. Pastre, Daniela Zanchet Chemcatchem, 2026 Phosphine‐based (PCP) palladium pincer complexes, renowned for their tunable steric and electronic properties, are effective homogeneous catalysts but are prone to decomposition under the mild reductive conditions typical of cross‐coupling reactions. This decomposition can generate a mixture of metal complexes and nanoparticles, complicating the rationalization of the catalytic outcome. Herein, a phosphinite Pd‐POCOP‐Cl complex was used to synthesize silica‐supported heterogenized pincer complexes for the model arylation of p ‐bromostyrene with diphenyliodonium triflate, a reaction previously studied for its homogeneous counterpart in a proposed Pd(II)/Pd(IV) cycle but underexplored in heterogeneous catalysis. The heterogenization on SiO 2 produced surface complexes that evolved under reaction conditions, exhibiting a 15‐fold higher catalytic activity than the homogeneous Pd‐POCOP‐Cl complex under similar conditions. This enhanced performance originated from the decomposition of the surface complexes, even in non‐reductive conditions, leading to Pd leaching into the solution and forming an inactive Pd(II) species grafted onto the solid support. This transformation was facilitated by surface hydroxyl groups on SiO 2 , ultimately generating soluble Pd(0) species that retained phosphorus coordination before agglomerating into nanoparticles.
Structure–function evolution of transition metal molybdate catalysts driven by hydrodeoxygenation environment Gabriel B. Báfero, Guilherme B. Strapasson, Leonardo S. Sousa, James S. Hayward, Pedro B. M. Nunes, Davi S. Leite, David J. Morgan, Jonathan K. Bartley, Daniela Zanchet Ees Catalysis, 2026 Transition metal molybdates undergo metal-dependent restructuring under HDO, yielding functional Mo-rich phases that mediate efficient deoxygenation through diverse reaction pathways.
Effect of Co/Cu Ratio and Na Promotion on CO2Hydrogenation to Alcohols over CoCu/MgAl2O4Catalysts Larissa E. R. Ferreira, Guilherme B. Strapasson, Guilherme Kuhl-Soares, Cristiane Barbieri Rodella, Diego Muraca, Liane Marcia Rossi, Daniela Zanchet ACS Sustainable Chemistry and Engineering, 2025 High Resolution Image Download MS PowerPoint Slide CO 2 is one of the primary greenhouse gases, and its catalytic hydrogenation to ethanol represents a promising strategy for both CO 2 mitigation and the production of value-added chemicals. However, the high thermodynamic stability of CO 2, along with the challenges of C–C coupling and selectivity control, makes this transformation particularly demanding. In this work, we investigate a series of Co 10- x Cu x /MgAl 2 O 4 catalysts ( x = 0, 1, 5, 9, and 10, with total metal loading of 10 wt %) as catalysts for CO 2 hydrogenation to alcohols, exploring the impact of chemical composition and metal–oxide interfacial properties. Insights from related reactions, such as ethanol steam reforming (ESR) and the reverse water gas shift (RWGS) reaction at ambient pressure, were used to support the understanding of Co and Cu site roles in CO 2 hydrogenation. Among the tested catalysts, prereduced Co 5 Cu 5 exhibited the highest performance under high-pressure conditions, achieving productivities of 29 mg MeOH g CoCu –1 h –1 and 6 mg EtOH g CoCu –1 h –1 . A prereduction step led to the formation of a CoCu alloy and modifications in the Co/Cu surface ratio, which contributed to enhanced catalytic activity. Co 5 Cu 5 displayed the best balance between activity and selectivity, while Na promotion enabled C 2+ alcohol formation, demonstrating the tandem action of Cu 0 and CoCu alloy sites. These findings highlight the synergistic effects of Co–Cu interactions and alkali metal promotion in tuning catalyst reducibility and improving selectivity toward higher alcohols.
Microwave-Assisted Synthesis of Ag-Decorated TiO2 Nanotubes for Photocatalytic Hydrogen Evolution Guilherme B. Strapasson, Silma A. Corrêa, Daniel L. Baptista, Daniel E. Weibel Chemistryselect, 2025 Microwave (MW)‐assisted aqueous synthesis of nanostructures offers an environmentally friendly alternative that aligns with green chemistry principles. In this study, we report the synthesis of silver nanoparticles (AgNPs) using a standard commercial MW oven and an aqueous extract of fresh cassava root, which served simultaneously as solvent and reducing/stabilizing agent. TiO2 nanotubes (NTs), synthesized via a MW digestion system, were impregnated with the as‐prepared AgNPs, and their photocatalytic activity was evaluated for hydrogen generation. The physicochemical properties of the synthesized AgNPs were characterized using various techniques, including FTIR, HAADF‐STEM, UV–visible (vis)DRS, RBS, and XPS. The average diameter of the AgNPs impregnated on TiO2 NTs, as measured by HAADF‐STEM, was (1.7 ± 0.2) nm. Increasing the AgNO3 concentration led to the formation of larger particles with a broader size distribution. Incorporation of very small AgNPs into TiO2 NTs resulted in a significant enhancement of the hydrogen evolution rate during methanol photoreforming at room temperature, increasing from 2.45 µmol g−1 h−1 for pristine TiO2 NTs to 4.1 µmol g−1 h−1. Reports on the use of green AgNPs prepared by MW‐assisted irradiation in hydrogen photogeneration experiments remain scarce in the literature, suggesting promising opportunities for advancing sustainable energy applications.
Oxygen Vacancy-Induced Phase Transformations of Iron-Doped Titanium Oxide Nanostructures Guilherme B. Strapasson, Adrián S. Arjona, Joseph E. McPeak, Olivia Aalling-Frederiksen, Adam F. Sapnik, Nanna L. Baun, Heloisa N. Bordallo, Cristiane B. Rodella, Daniela Zanchet, Kirsten M. Ø. Jensen ACS Nano, 2025 High Resolution Image Download MS PowerPoint Slide Oxygen vacancies play a pivotal role in tailoring the electronic, optical, and catalytic properties of reducible metal oxides. Here, we provide a complete overview of oxygen vacancy-induced structural evolution of iron-doped titanium oxide nanomaterials with insights into their synthesis, formation, and crystallization processes. Structural analysis combining multiple techniques reveals the formation of anatase nanoparticles at low Fe loadings (i.e., ≤10 at. % Fe). At intermediate Fe concentrations (i.e., 15–20 at. % Fe), a mixture of anatase and rutile forms with the presence of extended disordered defects similar to crystallographic shear planes. These become more notable at high Fe loadings (i.e., ≥30 at. % Fe) with the complete transition to the rutile phase with a high density of defects. Moreover, we provide important information on the nucleation, growth, and crystallization processes during synthesis, emphasizing the impact of Fe atom incorporation on the TiO 2 lattice, the formation of reaction intermediates, and the structural evolution at the nano regime. The ability to control oxygen vacancies and engineer defects in Fe-doped TiO 2 allows for the optimization of charge transport, enhancing catalytic activity and tuning optical properties for applications in environmental remediation, sensing, and next-generation semiconductor technologies.
Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering Laura S. Junkers, Diego Garay-Ruiz, Jordi Buils, Rebecca S. Silberg, Guilherme B. Strapasson, Kirsten M. Ø. Jensen, Carles Bo Journal of the American Chemical Society, 2025 A systematic approach for understanding the pH-dependent speciation of molecular metal-oxide nanoclusters beyond ambient conditions, which combines computational predictions with X-ray total scattering experiments, is presented. We demonstrate that temperature-dependent water properties have a significant impact on molecular energies derived from implicit solvent modeling and propose an efficient correction strategy. Based on this, we expand our methodology toward the elevated temperatures and pressures characteristic of hydrothermal synthesis. Correlating these computational results with experimental observations reveals a remarkable synergy between the two approaches, which helps to differentiate closely related polyoxometalates coexisting in solution. We find that qualitative trends are directly reproduced computationally, while the intricate nature of polyoxometalate speciation is best captured by adjusting computational predictions based on experimental insights. The derived knowledge of the clusters present under various conditions enables us to rationalize the crystallization of h-MoO3 at high temperatures and very acidic pH. With this, our study highlights the potential of hybrid approaches for elucidating solution-based oxide formation under extreme conditions.
Insights from Modulation-Excitation Spectroscopy into the Role of Pt Geometrical Sites in the WGS Reaction Tathiana M. Kokumai, Larissa E. R. Ferreira, Guilherme B. Strapasson, Lea Pasquale, Liberato Manna, Massimo Colombo, Daniela Zanchet ACS Applied Materials and Interfaces, 2025 Modulation-excitation spectroscopy coupled to diffuse reflectance infrared Fourier transform spectroscopy (ME-DRIFTS) was explored in this work to obtain valuable insights into the structure–reactivity relations in nanostructured Pt catalysts for the water–gas shift (WGS) reaction. By using model Pt catalytic systems composed of colloidal Pt nanoparticles (NPs) deposited on CeO2 (i.e., reducible) and SiO2 (i.e., nonreducible) supports, it was possible to probe distinct Pt active sites and correlate them to the reaction intermediates and pathways. The analysis revealed that PtNPs/SiO2 favored the participation of well-coordinated (WC) and under-coordinated (UC) Pt sites in the reaction mechanism. In contrast, on PtNPs/CeO2/SiO2, the additional involvement of highly under-coordinated (HUC) Pt sites was also observed. Additionally, both fast and slow formate species were identified as active intermediates on the surface of the PtNPs/CeO2/SiO2 catalyst by ME-DRIFTS. More importantly, the faster reaction pathway was correlated to HUC and UC Pt sites, while the slower route was associated with WC Pt sites. Carbonates, on the other hand, were spectators. ME-DRIFTS experimentally demonstrate differences in the participation of Pt active sites according to the support, the involvement of interfacial sites, and the correlation of Pt local coordination to the surface intermediates in the WGS reaction.
Control of Crystallization Pathways in the BiFeO3-Bi2Fe4O9 System Andrea Kirsch, Guilherme B. Strapasson, Niels Lefeld, Mathias Gogolin, Mark C. Videbæk, Soham Banerjee, Heloisa N. Bordallo, Kirsten M. Ø. Jensen Chemistry of Materials, 2025 High Resolution Image Download MS PowerPoint Slide Bismuth ferrites, specifically perovskite-type BiFeO 3 and mullite-type Bi 2 Fe 4 O 9, hold significant technological promise as catalysts, photovoltaics, and room-temperature multiferroics. However, challenges arise due to their frequent cocrystallization, particularly in the nanoregime, hindering the production of phase-pure materials. This study unveils a controlled sol–gel crystallization approach, elucidating the phase formation complexities in the bismuth ferrite oxide system by coupling thermochemical analysis and total scattering with pair distribution function analysis. We tune the crystallization pathways in the BiFeO 3 –Bi 2 Fe 4 O 9 system by adjusting the metal to complexing agent ratio and pH during precursor preparation with a fixed Bi/Fe ratio of 1:2. Although all precursors undergo an amorphization process during heating, our results demonstrate a consistent correlation between the crystallization pathway and the initial structural entities formed during gel formation. Pair distribution function analysis reveals structural differences in the intermediate amorphous structures, which preferentially crystallize into either BiFeO 3 or Bi 2 Fe 4 O 9 . This study offers mechanistic insights into the formation processes in the system and synthetic guidance for the controlled synthesis of pure Bi 2 Fe 4 O 9 and mixed BiFeO 3 /Bi 2 Fe 4 O 9 nanomaterials. Additionally, it elucidates the unusual growth behavior and structural size dependence of Bi 2 Fe 4 O 9, particularly highlighting significant distortions in the local structure likely induced by the proximity of Bi’s stereoactive lone electron pairs at small sizes.
Structure–function evolution of transition metal molybdate catalysts driven by hydrodeoxygenation environment GB Báfero, GB Strapasson, LS Sousa, JS Hayward, PBM Nunes, DS Leite, ... EES Catalysis , 2026 2026
Heterogenized PCP Pd Pincer Complexes for the Arylation of Styrenes With Iodonium Salts DS Leite, GB Strapasson, LS Sousa, RPM Filho, MO Junior, JC Pastre, ... ChemCatChem 18 (1), e01395 , 2026 2026
Effect of Co/Cu Ratio and Na Promotion on CO 2 Hydrogenation to Alcohols over CoCu/MgAl 2 O 4 Catalysts LER Ferreira, GB Strapasson, G Kuhl-Soares, CB Rodella, D Muraca, ... ACS Sustainable Chemistry & Engineering 13 (51), 21970-21983 , 2025 2025 Citations: 2
Microwave‐Assisted Synthesis of Ag‐Decorated TiO 2 Nanotubes for Photocatalytic Hydrogen Evolution GB Strapasson, SA Corrêa, DL Baptista, DE Weibel ChemistrySelect 10 (38), e04689 , 2025 2025 Citations: 2
Acidity drives selectivity: Tuning reaction pathways of (Pt, Fe)-supported catalysts under hydrodeoxygenation conditions GB Strapasson, GB Bafero, DS Leite, DBL Santos, A Albuquerque, ... Applied Catalysis B: Environment and Energy 373, 125316 , 2025 2025 Citations: 5
Oxygen vacancy-induced phase transformations of iron-doped titanium oxide nanostructures GB Strapasson, AS Arjona, JE McPeak, O Aalling-Frederiksen, AF Sapnik, ... ACS nano 19 (34), 30986-30999 , 2025 2025 Citations: 5
Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering LS Junkers, D Garay-Ruiz, J Buils, RS Silberg, GB Strapasson, ... Journal of the American Chemical Society 147 (26), 22747-22758 , 2025 2025 Citations: 5
Insights from Modulation-Excitation Spectroscopy into the Role of Pt Geometrical Sites in the WGS Reaction TM Kokumai, LER Ferreira, GB Strapasson, L Pasquale, L Manna, ... ACS Applied Materials & Interfaces 17 (9), 13221-13231 , 2025 2025 Citations: 5
Encapsulation of Ibuprofen by Pickering-Stabilized Antibubbles C Tsekeridis, PMM da Silva, G B. Strapasson, AT Poortinga, HN Bordallo ACS omega 10 (7), 7131-7141 , 2025 2025 Citations: 2
Green Synthesis of carbon quantum dots for enhancing photocatalytic activity: Hydrogen/oxygen evolution and dye photodegradation CW Backes, FB Reis, GB Strapasson, M Assis, E Longo, DE Weibel Catalysis Today 443, 114996 , 2025 2025 Citations: 30
Control of Crystallization Pathways in the BiFeO 3 –Bi 2 Fe 4 O 9 System A Kirsch, GB Strapasson, N Lefeld, M Gogolin, MC Videbæk, S Banerjee, ... Chemistry of Materials 37 (1), 338-348 , 2024 2024 Citations: 8
Exploring Iron Oxide Catalysts for Acetone Hydrodeoxygenation: Making Use of an Earth-Abundant Resource PBM Nunes, GB Strapasson, GB Báfero, D Zanchet Journal of the Brazilian Chemical Society 35 (12), e-20240126 , 2024 2024 Citations: 7
Pt molecularly defined precursors to tune particle size and speciation: impact on the reverse water gas shift reaction LS Sousa, GB Strapasson, JMC Bueno, CC Oliveira, D Zanchet Chemistry of Materials 36 (9), 4664-4676 , 2024 2024 Citations: 9
Eco‐friendly synthesis of silver nanoparticles and its application in hydrogen photogeneration and nanoplasmonic biosensing GB Strapasson, E de C. Flach, M Assis, SA Correa, E Longo, G Machado, ... ChemPhysChem 24 (21), e202300002 , 2023 2023 Citations: 10
Acidity modulation of Pt-supported catalyst enhances CO bond cleavage over acetone hydrodeoxygenation GB Strapasson, LS Sousa, GB Báfero, DS Leite, BD Moreno, CB Rodella, ... Applied Catalysis B: Environmental 335, 122863 , 2023 2023 Citations: 28
Enhanced Brønsted Acidity and Hydrogenating Sites Generated on MoO 3 during Acetone Hydrodeoxygenation GB Báfero, GB Strapasson, DS Leite, D Zanchet ChemCatChem 15 (16), e202300663 , 2023 2023 Citations: 12
Unveiling the effect of metallic and oxidized phases of cobalt on acetone hydrodeoxygenation DS Leite, GB Strapasson, D Zanchet Molecular Catalysis 530, 112623 , 2022 2022 Citations: 15
One-step Production of Sterically Stabilized Anionic Nanoliposome Using Microfluidic Device OMMM da Costa, PCOS Firmino, GB Strapasson, LG de La Torre, ... Journal of oleo science 71 (4), 515-522 , 2022 2022 Citations: 1
Highly water-stable polymer–perovskite nanocomposites AF Carrizo, GK Belmonte, FS Santos, CW Backes, G B. Strapasson, ... ACS applied materials & interfaces 13 (49), 59252-59262 , 2021 2021 Citations: 25
Microwave assisted synthesis of silver nanoparticles and its application in sustainable photocatalytic hydrogen evolution GB Strapasson, M Assis, CW Backes, SA Corrêa, E Longo, DE Weibel international journal of hydrogen energy 46 (69), 34264-34275 , 2021 2021 Citations: 43
MOST CITED SCHOLAR PUBLICATIONS
Microwave assisted synthesis of silver nanoparticles and its application in sustainable photocatalytic hydrogen evolution GB Strapasson, M Assis, CW Backes, SA Corrêa, E Longo, DE Weibel international journal of hydrogen energy 46 (69), 34264-34275 , 2021 2021 Citations: 43
Green Synthesis of carbon quantum dots for enhancing photocatalytic activity: Hydrogen/oxygen evolution and dye photodegradation CW Backes, FB Reis, GB Strapasson, M Assis, E Longo, DE Weibel Catalysis Today 443, 114996 , 2025 2025 Citations: 30
Acidity modulation of Pt-supported catalyst enhances CO bond cleavage over acetone hydrodeoxygenation GB Strapasson, LS Sousa, GB Báfero, DS Leite, BD Moreno, CB Rodella, ... Applied Catalysis B: Environmental 335, 122863 , 2023 2023 Citations: 28
Highly water-stable polymer–perovskite nanocomposites AF Carrizo, GK Belmonte, FS Santos, CW Backes, G B. Strapasson, ... ACS applied materials & interfaces 13 (49), 59252-59262 , 2021 2021 Citations: 25
Visible light sensitization of TiO 2 /Ag/N nanostructures synthesized by microwave irradiation for oxidative degradation of organic dyes GB Strapasson, FR Scheffer, SW Cendron, FC Silva, NH Lazzari, ... SN Applied Sciences 2 (4), 543 , 2020 2020 Citations: 16
Unveiling the effect of metallic and oxidized phases of cobalt on acetone hydrodeoxygenation DS Leite, GB Strapasson, D Zanchet Molecular Catalysis 530, 112623 , 2022 2022 Citations: 15
Enhanced Brønsted Acidity and Hydrogenating Sites Generated on MoO 3 during Acetone Hydrodeoxygenation GB Báfero, GB Strapasson, DS Leite, D Zanchet ChemCatChem 15 (16), e202300663 , 2023 2023 Citations: 12
Eco‐friendly synthesis of silver nanoparticles and its application in hydrogen photogeneration and nanoplasmonic biosensing GB Strapasson, E de C. Flach, M Assis, SA Correa, E Longo, G Machado, ... ChemPhysChem 24 (21), e202300002 , 2023 2023 Citations: 10
Pt molecularly defined precursors to tune particle size and speciation: impact on the reverse water gas shift reaction LS Sousa, GB Strapasson, JMC Bueno, CC Oliveira, D Zanchet Chemistry of Materials 36 (9), 4664-4676 , 2024 2024 Citations: 9
Control of Crystallization Pathways in the BiFeO 3 –Bi 2 Fe 4 O 9 System A Kirsch, GB Strapasson, N Lefeld, M Gogolin, MC Videbæk, S Banerjee, ... Chemistry of Materials 37 (1), 338-348 , 2024 2024 Citations: 8
Exploring Iron Oxide Catalysts for Acetone Hydrodeoxygenation: Making Use of an Earth-Abundant Resource PBM Nunes, GB Strapasson, GB Báfero, D Zanchet Journal of the Brazilian Chemical Society 35 (12), e-20240126 , 2024 2024 Citations: 7
Acidity drives selectivity: Tuning reaction pathways of (Pt, Fe)-supported catalysts under hydrodeoxygenation conditions GB Strapasson, GB Bafero, DS Leite, DBL Santos, A Albuquerque, ... Applied Catalysis B: Environment and Energy 373, 125316 , 2025 2025 Citations: 5
Oxygen vacancy-induced phase transformations of iron-doped titanium oxide nanostructures GB Strapasson, AS Arjona, JE McPeak, O Aalling-Frederiksen, AF Sapnik, ... ACS nano 19 (34), 30986-30999 , 2025 2025 Citations: 5
Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering LS Junkers, D Garay-Ruiz, J Buils, RS Silberg, GB Strapasson, ... Journal of the American Chemical Society 147 (26), 22747-22758 , 2025 2025 Citations: 5
Insights from Modulation-Excitation Spectroscopy into the Role of Pt Geometrical Sites in the WGS Reaction TM Kokumai, LER Ferreira, GB Strapasson, L Pasquale, L Manna, ... ACS Applied Materials & Interfaces 17 (9), 13221-13231 , 2025 2025 Citations: 5
Effect of Co/Cu Ratio and Na Promotion on CO 2 Hydrogenation to Alcohols over CoCu/MgAl 2 O 4 Catalysts LER Ferreira, GB Strapasson, G Kuhl-Soares, CB Rodella, D Muraca, ... ACS Sustainable Chemistry & Engineering 13 (51), 21970-21983 , 2025 2025 Citations: 2
Microwave‐Assisted Synthesis of Ag‐Decorated TiO 2 Nanotubes for Photocatalytic Hydrogen Evolution GB Strapasson, SA Corrêa, DL Baptista, DE Weibel ChemistrySelect 10 (38), e04689 , 2025 2025 Citations: 2
Encapsulation of Ibuprofen by Pickering-Stabilized Antibubbles C Tsekeridis, PMM da Silva, G B. Strapasson, AT Poortinga, HN Bordallo ACS omega 10 (7), 7131-7141 , 2025 2025 Citations: 2
One-step Production of Sterically Stabilized Anionic Nanoliposome Using Microfluidic Device OMMM da Costa, PCOS Firmino, GB Strapasson, LG de La Torre, ... Journal of oleo science 71 (4), 515-522 , 2022 2022 Citations: 1
Structure–function evolution of transition metal molybdate catalysts driven by hydrodeoxygenation environment GB Báfero, GB Strapasson, LS Sousa, JS Hayward, PBM Nunes, DS Leite, ... EES Catalysis , 2026 2026