i-COOP 2025 Project

Integrating Advanced Spectroscopic Tools and Theoretical Modeling for Rational Catalyst Design

Project code: COOPB25065

Total funding awarded: €29,999.81

First annuality: €15,000.00

Second annuality: €14,999.81

Partners

Short description

Keywords

Project Progress and Activities

Partners

Instituto de Tecnología Química, ITQ, UPV-CSIC, Spain

Instituto de Catálisis y Petroleoquímica, ICP-CSIC, Spain

Universidad Nacional del Litoral / INTEC-CONICET, Argentina

University of Campinas, UNICAMP, Brazil

Short description

The project COOPB25065 – “Integrating Advanced Spectroscopic Tools and Theoretical Modeling for Rational Catalyst Design” was awarded under the CSIC i-COOP 2025 Programme, dedicated to scientific cooperation for development. The action is coordinated from the Instituto de Tecnología Química (ITQ, UPV-CSIC) and brings together complementary expertise from research groups in Spain, Argentina and Brazil.

The project focuses on the development of advanced methodologies for the rational design of catalysts, with particular emphasis on CO₂ hydrogenation to methanol, a key process for carbon valorization and the production of sustainable fuels and platform chemicals. The scientific strategy combines catalyst synthesis, catalytic and kinetic studies, operando spectroscopy, synchrotron-based characterization and theoretical modelling to obtain molecular-level insight into active sites and reaction mechanisms.

The consortium involves researchers from ITQ-CSIC, ICP-CSIC, the Universidad Nacional del Litoral / INTEC-CONICET in Argentina, and the University of Campinas / UNICAMP in Brazil. This multidisciplinary collaboration combines expertise in heterogeneous catalysis, advanced spectroscopy, SSITKA, modulation excitation spectroscopy, synchrotron-based techniques and density functional theory calculations.

By integrating experimental and theoretical approaches, the project seeks to establish structure–activity relationships that can guide the design of more efficient Cu-based catalysts for CO₂ conversion. The initiative also promotes the exchange of knowledge, training and scientific interaction among international partners, contributing to the development of long-term collaborations in sustainable catalysis.

The project is aligned with several Sustainable Development Goals, particularly those related to clean energy, climate action, sustainable industry, responsible production and international partnerships. Through the valorization of CO₂ as an alternative carbon source, this initiative contributes to the development of catalytic technologies aimed at addressing current energy and environmental challenges.

Keywords

CO₂ hydrogenation; methanol synthesis; heterogeneous catalysis; operando spectroscopy; SSITKA; MES; XAS; XPS; DFT modelling; rational catalyst design.

Project Progress and Activities

First Working Meeting of the I-COOP 2025 Project

Project Workshop and Participation in the Latin-America Workshop on Advanced In Situ and Operando Methodologies

Within the framework of the CSIC i-COOP 2025 project COOPB25065 – “Integrating Advanced Spectroscopic Tools and Theoretical Modeling for Rational Catalyst Design”, researchers from the consortium participated in a project workshop held in Argentina. The activity brought together Dr. Patricia Concepción from ITQ, UPV-CSIC, Prof. Pablo Sebastián Fernández from the University of Campinas, Brazil, and members of the Argentinian research group.

During the workshop, the participants discussed the first advances of the project, reviewed the complementary expertise of the different partners, and planned new scientific strategies to strengthen the collaboration. The meeting provided an opportunity to coordinate future activities related to advanced spectroscopy, operando methodologies, theoretical modelling and rational catalyst design.

In addition, members of the consortium participated in the Latin-America Workshop on Advanced In Situ and Operando Methodologies, held from 18 to 20 March 2026 in Santa Fe, Argentina. The event brought together researchers, professionals and early-career scientists to discuss recent developments in catalysis, spectroscopy, materials science, transient and modulation experiments, X-ray absorption techniques, reaction mechanisms and DFT modelling.

This activity contributed to the dissemination of the project, the exchange of scientific knowledge and the strengthening of international cooperation between research groups from Spain, Argentina and Brazil.

Second Working Meeting of the I-COOP 2025 Project

CATREDOX Group Hosts the Second Working Meeting of the CSIC I-COOP 2025 Project COOPB25065

The Instituto de Tecnología Química (ITQ, UPV-CSIC) recently hosted the Second Working and Collaboration Meeting of the project COOPB25065, funded under the CSIC I-COOP 2025 Programme from 8 to 11 June 2026,.

The meeting brought together researchers from the Universidad Nacional del Litoral and INTEC-CONICET in Argentina, the Instituto de Catálisis y Petroleoquímica (ICP-CSIC, Madrid), and the Instituto de Tecnología Química (ITQ, UPV-CSIC, Valencia). Participants included Prof. Sebastián Collins, Prof. María Verónica Ganduglia-Pirovano, Dr. Pablo Lustemberg, Dr. Daviel Gómez, and Dr. Patricia Concepción (project coordinator).

During the meeting, the consortium reviewed preliminary scientific results, discussed the complementary technological capabilities available at each institution, and defined future research activities aimed at maximizing the scientific impact of the collaboration.

This initiative highlights the importance of international cooperation in promoting scientific excellence, strengthening research capacities, and fostering long-term partnerships between institutions committed to addressing global scientific and technological challenges.

The CATREDOX Group thanks all participants for their commitment and looks forward to the next milestones of the project.