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ES22_Structura and dynamic properties of solids_Hegoi Manzano Moro

Hegoi Manzano

+34 946 013 405‬

Group description

The Structural and Dynamic Properties of Solids Group belongs to the Department of Physics. It currently gathers 11 University Professors and 4 PhD students.

The Research Group (RG) has several research lines related to solid state physics. Among them, two are strongly related to the ADAGIO call:

  •  The search and simulation of materials for the development of a high-performance solid-state batteries. Among all the components, the RG is focused in the optimization of Solid polymer electrolytes (SPEs) for their use in efficient  solid-state batteries.
  • The search and simulation of materials for energy efficiency and CO2 reduction. In this sense, the group is focused (but not limited) to building materials. Among the strategies, the RG is aiming to develop innovative cements with improved reactivity, improved rheological properties for 3D printing, novel cements for thermal energy storage, and CO2 based cements.

The RG is a recognized research group by the Basque Government and University of the Basque Country (IT1358-22), and has been awarded over the last years with several regional,national and European funded projects. The scientific production includes more than 100 papers in the last decade, and 5 international PhD thesis. At the national and regional levels, we have well stablished collaborations with TECNALIA R&D, the UAM, the Instituto Rocasolano and the Centro de Físca de Materiales from the CSIC, or the Donostia International Physics Center among others.

As it is especially relevant for the ADAGIO program, it must be mentioned that the RG participates in the EUSKAMPUS Laboratories for Trans-border Cooperation LTC – Green Concrete and the FOTONIKA action (more details below)


  • Advanced manufacturing
  • Solid State batteries
  • Supercritical fluids
  • Green concrete
  • Energy storage
  • CO2 reduction
  • Photonic concrete
  • Machine Learning
  • Life Cycle Assesment
  • Atomistic simulation

Team Description

  • Hegoi Manzano (Co-Principal Investigator)

    ORCID: 0000-0001-7992-2718

  • César Luis Folcia Basa (Research staff)

    ORCID: 0000-0003-2607-2937

  • Francisco Javier Zúñiga Lagares (Research staff)

    ORCID: 0000-0001-8616-0766

  • Gotzon Madariaga Menéndez (Research staff)

    ORCID: 0000-0001-9036-9247

  • Iñigo Etxebarria Altzaga (Research staff)

    ORCID: 0000-0003-2681-2122

  • Luis Elcoro (Principal Investigator)

    ORCID: 0000-0002-5427-0984

  • Jesús Etxebarria Ecenarro (Research staff)

    ORCID: 0000-0002-3948-6779

  • Jesús Martínez Perdiguero (Research staff)

    ORCID: 0000-0002-9155-6279

  • María Rosario de la Fuente Lavín (Research staff)

    ORCID: 0000-0002-7024-1462

  • Mois Ilia Aroyo (Research staff)

    ORCID: 0000-0002-9083-6164


  • Propiedades estructurales, dinámicas y ópticas de materiales

    Pl: Luis Elcoro

    Funding Agency*: REG

    Ongoing: yes

    Project reference: IT1458-22


    Pl: Hegoi Manzano

    Funding Agency*: NAT

    Ongoing: yes

    Project reference: NA


    Pl: Jose Ramón Leiza

    Funding Agency*: EU

    Ongoing: yes

    Project reference: MAT2015-66441-P

  • Materials Simulation

    Pl: Hegoi Manzano

    Funding Agency*: RE

    Ongoing: yes

    Project reference: PES20/22

  • LTC Laboratorio Transfronterizo Conjunto - GreenConcrete

    Pl: Hegoi Manzano

    Funding Agency*: RE

    Ongoing: yes

    Project reference: USK21/05

* INT - International EU - European NAT - National RE - Regional


  • Chen, J., Martin, P., Xu, Z., Manzano, H., Dolado, J. S., & Ye, G., = A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale., Cement and Concrete Research, 142, 106377., 2021

  • Martin, P., Gaitero, J. J., Dolado, J. S., & Manzano, H., = New Kinetic Monte Carlo Model to Study the Dissolution of Quartz., ACS Earth and Space Chemistry, 5(3), 516-524., 2021

  • Idoia Ruiz Larramendi, Inigo Lozano, Marina Enterria, Rosalia Cid, Maria Echeverria, Sergio Rodriguez Pena, Javier Carrasco, Hegoi Manzano, Garikoitz Beobide, Imanol Landa-Medrano, Teofilo Rojo, Nagore Ortiz-Vitoriano, = Unveiling the Role of Tetrabutylammonium and Cesium Bulky Cations in Enhancing Na-O-2 Battery Performance, Advanced Energy Materials, 2021

  • Lolli, F., Manzano, H., Provis, J. L., Bignozzi, M. C., & Masoero, E., = Atomistic simulations of geopolymer models: the impact of disorder on structure and mechanics., ACS applied materials & interfaces, 10(26), 22809-22820., 2018

  • Xabier M Aretxabaleta, Jon López-Zorrilla, Christophe Labbez, Iñigo Etxebarria, Hegoi Manzano, = A potential CSH nucleation mechanism: atomistic simulations of the portlandite to CSH transformation, Cement and Concrete Research, 162, 2022

Research Lines


Development and characterization of new Solid State electrolytes for efficient energy storage

  • Solid polymer electrolytes (SPEs) have been playing a crucial role in the development of a high-performance solid-state lithium metal battery. The safety and the easy tailoring of the polymers designate these materials as promising candidates to be implemented as electrolytes. We use molecular dynamics simulations as a complementary tool to a range of experimental measurements to gain in-depth insights into the ionic transport in SPEs. We study the effect of the salt and the polymer structure on the ionic transport, helping to interprete the experimental results, and even guiding the design of more efficient polymer matrices and salts for Li and Na based batteries.


3D printing for green concretes

  • Large-scale 3D Concrete Printing (3DCP) developments have been booming over the last decade and are rapidly becoming a reality in the construction sector. The main benefits of this building technology are clear: reduction on material consumption, possibility to build structures with more complex shapes, increase of safety thanks to process automation, and overall reduction of the construction costs and times. However, this advance technology requires mastering of structural design, robotics, process control, and material performance. As a consequence, several research groups, start-ups, and well stablished companies are working hard to go beyond the state of the art. In this line, wemainly collaborate with Tecnalia, where they have stablished a multidisciplinary research group focused in the development of 3D printing-based solution for the construction sector. This group is equipped with a tailor-made laboratory for the study/development of all aspects of the printing process, but with a special focus on material’s performance, structural design with topological optimization, and process control.


Green concretes for energy storage

  • In spite of its dull appearance, concrete can be a great element for storing energy. In fact, the LTC Green Concrete has a long trajectory in this appealing application. In fact, we are currently demonstrating that concrete has unique properties so as to be excellent Thermal Energy Storage (TES) devices. The possibility of Electrochemical storage has been also tested in the LTC, and some promising results have been obtained so far.

Supereactive Belite cements

  • On of the CEMBUREAU objectives for concrete industry is a reduction of 300º in the cement manufacting temperature, reducing the energy consumption and CO2 emissions. That would entail a change from Ordinary Portland Cement to new Belitic cements. For the technological change, the hydration capacity of belite must be improved, achieving reaction rates similar to those of OPC. We are working on multiscale modelling and synthesis of Belitic cements with improved reactivity by modifications at the atomic scale of the material, introducing structural defects.


Supercritical Fluids technology for green concretes

  • The supercritical fluid technology is a sustainable and scalable manufacturing route for the synthesis of calcium silicate hydrate minerals, for green concrete, for example xonotlite and tobermorite. The main advantage of this methodology is related to the ultrafast reaction kinetics, which allow the continuous synthesis of these mineral phases in supercritical water in only few seconds.
  • Furthermore, in addition to the boosted synthesis times, the synthetic minerals are characterised by high crystallinity and purity, rather than their natural counterparts that are often found mixed with other phases or impurities. Thanks to that property, synthetic minerals can be used to disclose some aspects of the calcium silicate hydrate structures, which are still not fully elucidated.
  • Afterwards, the high crystalline minerals can be employed in different fields. For example, it can be related to the use of the mineral phases as nanoseeds for accelerating the early-stage hydration of cement to develop a denser and resistant cement matrix. It can be also used to develop advanced method for greener synthesis route as for example the synthesis of wollastonite upon dehydration of calcium silicate phase.

Green Concretes for CO2 capture

  • Cement industry is responsible for more than the 8% of total anthropogenic CO2 emissions to the atmosphere. It is not surprising that new cement formulations and production procedures are being sought after. In this context, a new family of cement-based materials have recently emerged: The Carbon-cured Concretes (CCC). Differently to normal cement based materials which need water for being cured and gaining strength, the Carbon-cured Concretes employ CO2 for triggering the carbonation of wollastonite (CaSiO3) minerals to form a solid cementitious matrix. Needless to say that the feasibility of CCC technology for trapping CO2 depends very much on the availability of wollastonite (CaSiO3). In this project, nano-wollastonite and related minerals will be produced by Supercritical Fluid (SCF) technology.

Cross-border Collaboration (if any)

Our RG is strongly involved in collaborations with the University of Bordeaux. Since 2020, we are indeed  part of the EUSKAMPUS Laboratories for Trans-border Cooperation LTC – Green Concrete formed by:

In the Basque Country:

  • Materials Physics Center, CFM (UPV/EHU - CSIC)
  • Donostia International Physics Center, DIPC
  • Basque Center for Macromolecular Design and Engineering, Polymat
  • Materials Physics Center (MPC)
  • Department of Physics and Department of Physical Chemistry, Faculty of Science and Technology (UPV/EHU)
  • Cement-based Products Area of the Building Technologies Division, TECNALIA

In Bordeaux:

  • Institut de Chimie de la Matière Condensée de Bordeaux / ICMCB-CNRS-University of Bordeaux-Bordeaux INP
  • Institut de Mécanique et d’Ingénierie / I2M-CNRS-University of Bordeaux-Bordeaux INP-Arts et Métiers
  • Institut des Sciences Moléculaires / ISM-CNRS-University of Bordeaux-Bordeaux INP

Our research group also belongs to the FOTONIKA EUSKAMPUS action, Dr. Leire Gartzia Rivero, nowadays Assistant Professor in our RG at UPV/EHU, was Postdoctoral Researcher (Basque Government fellow) in the Group of “Nanostructures Organiques” (NEO) at the Institut des Sciences Moléculaires – CNRS, under the supervision of Pr. André Del Guerzo for a period of two years (2016 - 2018). The NEO group of the ISM is labeled within the clusters of excellence (LabEX) LAPHIA (Photonics) and AMADEUS (Organic Electronics).