Biotechnology and Environmental Applications

Ana Martin Calvo

Molecular Simulation of Porous Materials for Environmental and Technological Applications

I perform classical simulations (Monte Carlo and Molecular Dynamics) to study at molecular level the adsorption and diffusion properties of gases and liquids in nanoporous materials (zeolites and MOFs), with the aim of understanding and improving processes with environmental and technological impact, such as water desalination, pollutants removal or hydrogen purification, among others.

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Juan Antonio Anta Montalvo

jaantmon@upo.es

Fundamental studies of nanomaterials for solar cells and photoconversion processes.

In the group of nanomaterials for photoconversion at the Pablo de Olavide University, we like to experiment. We tend to do this carefully and gently, so we always use a small disturbance. This disturbance can be a slight optical flicker, of different colors, or an electrical spark. We can do it both at a pleasant room temperature and at several tens of degrees below zero, both in total darkness and under intense lighting. Normally, the cells behave perfectly, although those metal-organic hybrid perovskite cells do not seem to resist our treatments as well. In any case, they always provide us with tasty information, in the form of resistances and capacitances, or in the form of kinetic constants of different types. Additionally, our doctors like to run simulations and design numerical models, to better understand their complicated behavior. We don't know if we do it better or worse, but what we are sure of is that we always do it with frequence and intensity

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Maria de la Menta Ballesteros Martin

mmbalmar@upo.es

Nanomaterials for environmental applications

Valorization of agricultural and industrial by-products for the synthesis of nanomaterials and their application in the treatment of water contaminated with emerging compounds, antibiotic-resistant bacteria, pathogenic microorganisms, etc. using photocatalytic with sunlight as a source of energy as well as for the production of biodiesel

Said Hamad Gomez

said@upo.es

Prediction of materials useful in energy generation processes

I am interested in the use of computational methods (quantum and classical) to develop new materials with applications in energy and the environment, mainly materials with applications in batteries, sensors, thermal storage, gas adsorption and catalysis to generate renewable fuels based on solar energy. Lately, I have focused on the application of machine learning methods.

Alejandro Cuetos Menendez

acuemen@upo.es

Modelling and computer simulation of complex fluids and soft condensed matter.

My research focuses on the simulation study of the structural, thermodynamic and kinetic properties of complex fluids and condensed soft matter. In particular, I focus on non-spherical particulate fluids and multicomponent systems of different particle shapes. My work over the years has included the development of models and simulation methods, and the systematic study of the properties of fluids capable of forming liquid crystal phases. In recent years I have opened up a new line of research involving the study of the evolution of bacterial colonies. Here I have taken advantage of my previous experience in elongated particle fluids, introducing as a new ingredient the growth and division of the particles, which now model cells. This work has led to interesting results on two- and three-dimensional microcolonies. Currently, using the tools developed, we continue to study the properties of developing bacterial collectivities.

Juan José Gutiérrez Sevillano

jjgutierrez@upo.es

Molecular Simulation Applied to the Study of Nanomaterials with Energy and Technological Interest

I work on projects applying classical simulation techniques to the study of diffusion and adsorption processes as well as on the development and improvement of methods and force fields, setting up my main research line: “Nanoporous materials for energy, environmental, and technological applications”. Additionally, my research interest includes other fields such as the improvement of thermodynamic models to compute solubilities, the formation of perovskite for solar cells application, or the use of hematite for applications in water splitting.

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Sofia Calero Diaz

scalero@upo.es

Simulation and Modeling of Materials

Calero’s research involves the application of simulation to industrially relevant systems and the development of force fields, algorithms and simulation methods to reverse-engineer properties of materials.

María del Pilar Ortiz Calderon

mportcal@upo.es

Diagnostic of materials of historic heritage

Our group focuses on the application of advanced spectroscopy and electron microscopy techniques for the assessment of the composition and the state of conservation of materials of historic, cultral and art heritage.

Angel Rabdel Ruiz Salvador

rruisal@upo.es

Development of tailored nanomaterials

We do research on low-dimensional semiconductors and nanoporous materials and their crystallochemical design, based on structural stability, electronic properties and interactions with host molecules. We are involved in collaborative projects for applications molecular separation, water and wastewater treatment, (photo)catalysis including artificial photosynthesis and in solid state batteries.

Salvador Rodriguez Gómez

salrodgom@upo.es

Design, synthesis and characterization of crystalline (nanoporous) materials using molecular simulation techniques and experiments

David Rodriguez Lucena

drodluc@upo.es

Sensor Arrays using Luminescent Metal-Organic Frameworks for the Optical Detection of Explosive Vapoursand Toxic Substances

Francisco Javier Garcia Moscoso

fgarciamoscoso@gmail.com

Synthesis and characterization of fluorescent metal-organic frameworks (MOFs) deposited on polymeric membranes for the development of materials with sensing capacity.

Javier Roales Batanero

jroabat@upo.es

Gas detection systems based on dyes. Colorimetric expiration indicator devices. Analysis of the quality of olive oil through the use of electronic olfaction systems.

Clara Patricia Aranda Alonso

cparaalo@upo.es

Synthesis and Characterization of Wide bandgap Perovskite Photoconversion Devices

the Institute of Advanced Materials (INAM) (Castellón, Spain). She worked as postdoctoral researcher at the Forschungszentrum Jülich and Institute for Photovoltaics (ipv) at the University of Stuttgart (Germany) for two years. Then she moved to the Institute of Materials Science (ICMUV) at the University of Valencia (Spain) as a Margarita Salas fellow. Currently, she is working at Universidad Pablo de Olavide in Seville (Spain). Her work is focused on the synthesis and characterization of wide band gap perovskite materials, both in thin film and single crystal configuration, for photoconversion devices such as solar cells, photodetectors and memristors, using impedance spectroscopy as the main characterization tool.

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Renan Andrés Escalante Quijano

raescqui1@upo.es

Third generation solar cells. Photoelectrochemical characterization by small perturbation impedance

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Álvaro Rodríguez Rivas

arodriguezrivas@upo.es

Soft Matter and statistitical mechanics

Juan Carlos Exposito Galvez

jcexpgal@upo.es

Photoelectrochemical study of abundant metal oxides for the conversion of solar energy into the clean fuel hydrogen (Water splitting)

Graduated in Environmental Sciences from the Pablo de Olavide University in 2019, he subsequently continued his Master's studies in Climate Change, Carbon and Water Resources from the UPO in 2021, carrying out the master's thesis at the IFAPA institute. Since 2021, he has been pursuing his doctorate at the UPO, focusing on the design of systems to improve the efficiency of solar photoelectrochemical decomposition of water based on metal oxides, focused on determining the processes that limit the performance of the systems using advanced photoelectrochemical methods and theoretical modeling of the mechanisms of electrical and electrochemical processes.

Patricia Sanchez Fernandez

psanfer2@upo.es

Dye-sensitized solar cells and their limitations in indoor applications

"My main line of research is based on the study of the behaviour of dye-sensitized solar cells (DSC) in indoor lighting environments. In this illumination condition, the light intensity is much lower than the standard conditions of 1 sun (100 mW/cm^2), and the emission spectra correspond to typical lighting sources for indoor spaces (LED lamps, fluorescent lamps; offices, workstations, common areas, public transport, etc.). In order to understand the mechanisms that limit the photovoltaic performance in this illumination condition, small-perturbation techniques are employed to study the electron dynamics in the frequency domain, giving us information about the electron transport and recombination resistances. So, we can design a DSC with an optimum electrolyte composition, metal-oxide architecture or organic sensitizers to reach one of the objectives of the reserach: obtain a functional photovoltaic device at low light intensity that serves as a substitute prototype for small batteries in order to self-sustain ""Internet of Things"", whose demand grows exponentially with the passage of time."

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Juan Jesús Romero Guerrero

juanjesus.romero.guerrero@gmail.com

MOFs based devices for environmental and nanotechnology applications.

The research focuses on the development of devices based on metal-organic frameworks (MOFs) for environmental and nanotechnology applications. The study involves investigating the methods for combining or depositing MOFs onto different substrates to make these materials useful in research areas like chemical sensors, energy storage, CO2 reduction, or water splitting.

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Daniel Ruiz Alonso

danielruiz.machado@gmail.com

My line of research is centered around the use of MOFs as a drug transport system.

The research includes the synthesis and characterization of metalorganic coordination polymers known as MOFs (metal-organic frameworks), and the study of their possible applications as drug transport systems, evaluating their loading capacity, possible release strategies and resistance to physiological conditions.

Noelia Rodriguez Sanchez

noeliarsanchez29898@gmail.com

Synthesis of nanomaterials for wastewater treatment

Synthesis and modifications of MOF for its application in the treatment of water with emerging contaminants and pathogens by heterogeneous photocatalysis

Mahmoud Nabil Hassan Mahmoud

mnmah@upo.es

Third-generation solar cells and related nanomaterials

I am actively engaged in both the fabrication and characterization of perovskite solar cells, complemented by the synthesis and analysis of related nanomaterials.

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Beatriz Eugenia Heredia Cervera

bherediac@gmail.com

Carbon Perovskite Solar Cells

Identify energy loss processes in C-PSCs and design strategies to improve the efficiency using new mesoporous materials and interlayers to improve charge extraction efficiency.

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Pablo Romero Llorente

promllo@upo.es

Quantum Molecular Simulations and AI-Driven Force Field Prediction for Enhanced Solar Energy Conversion in Perovskites

We are going to combiante the computational capabilities of quantum molecular simulations with the predictive power of artificial intelligence (AI) to advance solar energy conversion technologies in perovskite materials. The methodology involves two primary components. Quantum Molecular Simulations: Utilize the Vienna Ab initio Simulation Package (VASP) to conduct quantum mechanical simulations of perovskite materials. These simulations will provide detailed insights into the atomic-level interactions and the electronic properties of perovskites, which are crucial for understanding and optimizing their photovoltaic properties. AI-Driven Force Field Prediction: Develop a neural network-based model to predict force fields in perovskite materials based on the data generated from quantum molecular simulations.