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Carlos Bornes is a postdoctoral researcher at the Faculty of Science from Charles University in Prague, having earned his PhD in Chemistry from Universidade de Aveiro in 2023. He was recently awarded a European Research Area postdoctoral fellowship for his project "Zeolando - Exploring the dynamic behaviour of zeolites and their active sites under operando conditions". His area of research combines advanced spectroscopic methods such as solid-state NMR, inelastic neutron scattering, and infrared spectroscopy with computational approaches, particularly machine learning interatomic potentials, to simulate long scale processes and predict experimental observables at operando conditions.
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Identification

Personal identification

Full name
Carlos Bornes

Citation names

  • Bornes, Carlos

Author identifiers

Ciência ID
9410-1B06-A5E5
ORCID iD
0000-0002-0325-2356

Email addresses

  • carlos.bornes@natur.cuni.cz (Professional)

Knowledge fields

  • Exact Sciences - Physical Sciences - Chemical Physics
  • Exact Sciences - Chemical Sciences - Inorganic Chemistry
  • Exact Sciences - Chemical Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
English Upper intermediate (B2) Upper intermediate (B2) Upper intermediate (B2) Advanced (C1) Upper intermediate (B2)
Education
Degree Classification
2018/06 - 2023/09
Concluded
 Química (Doutoramento)
Major in Ressonância Magnética Nuclear
Universidade de Aveiro, Portugal
"NMR study of zeolites’ acid sites using molecular probes" (THESIS/DISSERTATION)
2015/09 - 2017
Concluded
 Química (Mestrado)
Major in Sem especialização
Universidade de Aveiro, Portugal
"Estudo das Propriedades de Acidez de Zeólitos por RMN do Estado Sólido" (THESIS/DISSERTATION)
2012/09 - 2015/07
Concluded
 Química (Licenciatura)
Universidade de Aveiro, Portugal
Affiliation

Science

Category
Host institution 		Employer
2023/08 - Current Postdoc (Research) Univerzita Karlova Chemická sekce, Czech Republic
Charles University Centre of Scientific Information, Czech Republic
Projects

Grant

Designation Funders
2024/08 - 2026/07 Exploring the dynamic behaviour of zeolites and their active sites under operando conditions
101180584
 European Commission
2018/04 - 2022/04 Study of zeolite acid properties by solid-state NMR
70977DFA
 Fundação para a Ciência e a Tecnologia

Contract

Designation Funders
2025/01 - 2026/02 New insights into pyridine-zeolite interactions derived from machine learning potentials
open-33-29
Principal investigator
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum
Ongoing
2024/09 - 2025/10 Understanding Sn-zeolites under operando conditions using Neural Network Potentials
open-32-2
Principal investigator
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum
Ongoing
2025/03 - 2025/03 Unveiling the mechanism of proton transfer in H2O-loaded zeolites
2420234
Principal investigator
ISIS Pulsed Neutron and Muon Source
2022/04 - 2023/12 Towards an atomic-level understanding of the interaction of probe molecules with acid sites in zeolites
hbc00056
Co-Principal Investigator (Co-PI)
Norddeutscher Verbund für Hoch- und Höchstleistungsrechnen - HLRN
Concluded
2022/05/11 - 2022/05/15 Real-Time Monitoring of Diffusion and Accessibility of Methylpyridines to Acid Sites Within ZSM-5 Zeolites
SM25522
Universidade de Aveiro CICECO, Portugal
 Diamond Light Source Ltd
Ongoing
2019/01/01 - 2019/12/31 CICECO-Instituto de Materiais de Aveiro
UID/CTM/50011/2019
LA/P/0006/2020
10.54499/LA/P/0006/2020
Universidade de Aveiro, Portugal

Universidade de Aveiro CICECO, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2019/11/25 - 2019/11/27 Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite (extra)framework composition
DIR-170
Universidade de Aveiro CICECO, Portugal
 Institut Laue-Langevin
Ongoing
Outputs

Publications

Conference poster
  1. Bornes, Carlos; Sardo, Mariana; Lin, Zhi; Amelse, Jeffrey; Rocha, João; Mafra, Luís. "New insight about the distribution of Brønsted and Lewis acid sites in zeolites using 31P solid-state NMR techniques". Paper presented in SMASH, 2019.
  2. Bornes, Carlos; Sardo, Mariana; Sequeira, Lisa; Lin, Zhi; Rocha, João; Mafra, Luís. "Solid-state investigation of zeolite acidity using trimethylphosphine oxide probe molecules". Paper presented in 6th Portuguese Young Chemist Meeting, 2018.
Journal article
  1. Chen Lei; Carlos Bornes; Oscar Bengtsson; Andreas Erlebach; Ben Slater; Lukas Grajciar; Christopher J. Heard. "A machine learning approach for dynamical modelling of Al distributions in zeolites via23Na/27Al solid-state NMR". Faraday Discussions (2025): https://doi.org/10.1039/D4FD00100A.
    10.1039/D4FD00100A
  2. Pavel Zelenovskii; Márcio Soares; Carlos Bornes; Ildefonso Marin-Montesinos; Mariana Sardo; Svitlana Kopyl; Andrei Kholkin; Luís Mafra; Filipe Figueiredo. "Detection of helical water flows in sub-nanometer channels". Nature Communications (2024): https://doi.org/10.1038/s41467-024-49878-7.
    10.1038/s41467-024-49878-7
  3. Shivangi N. Borate; Nohor “River” Samad; Stephen C. Purdy; Junyan Zhang; Carlos Bornes; Michael J. Cordon; Meijun Li; et al. "Quantification of active sites in yttrium containing dealuminated Beta zeolites during conversion of ethanol and acetaldehyde to butadiene". Journal of Catalysis (2024): https://doi.org/10.1016/j.jcat.2024.115468.
    10.1016/j.jcat.2024.115468
  4. Serena Lima; Elisa I. García-López; Igor Krivtsov; Marina Ilkaeva; Carlos Bornes; Luís Mafra; Leonarda F. Liotta; et al. "Valorisation of microalga Chlorella sp. into furans in the presence of Nb2O5 catalysts". Journal of Catalysis (2024): https://doi.org/10.1016/j.jcat.2024.115457.
    10.1016/j.jcat.2024.115457
  5. Carlos Bornes; Carlos F.G.C. Geraldes; João Rocha; Luís Mafra. "Investigating trimethylphosphine oxide interactions with Brønsted and Lewis acid sites in zeolites: A comparative solid-state NMR study of wet-phase and gas-phase adsorption techniques". Microporous and Mesoporous Materials (2023): https://doi.org/10.1016/j.micromeso.2023.112666.
    10.1016/j.micromeso.2023.112666
  6. Carlos Bornes; Isabel C.M.S. Santos-Vieira; Ricardo Vieira; Luis Mafra; Mário M.Q. Simões; João Rocha. "Challenges and opportunities for zeolites in biomass upgrading: Impediments and future directions". Catalysis Today 419 (2023): 114159-114159. http://dx.doi.org/10.1016/j.cattod.2023.114159.
    10.1016/j.cattod.2023.114159
  7. Carlos Bornes; Dusan Stosic; Carlos F. G. C. Geraldes; Svetlana Mintova; João Rocha; Luís Mafra. "Elucidating the Nature of the External Acid Sites of ZSM-5 Zeolites Using NMR Probe Molecules". Chemistry – A European Journal (2022): https://doi.org/10.1002/chem.202201795.
    10.1002/chem.202201795
  8. Michael Fischer; Carlos Bornes; Luís Mafra; João Rocha. "Elucidating the Germanium Distribution in ITQ-13 Zeolites by Density Functional Theory**". Chemistry – A European Journal (2022): https://doi.org/10.1002/chem.202104298.
    10.1002/chem.202104298
  9. Carlos Bornes; Michael Fischer; Jeffrey A. Amelse; Carlos F. G. C. Geraldes; João Rocha; Luís Mafra. "What Is Being Measured with P-Bearing NMR Probe Molecules Adsorbed on Zeolites?". Journal of the American Chemical Society (2021): https://doi.org/10.1021/jacs.1c05014.
    10.1021/jacs.1c05014
  10. Bornes, Carlos. "Quantification of Brønsted Acid Sites in Zeolites by Water Desorption Thermogravimetry". European Journal of Inorganic Chemistry (2020): http://dx.doi.org/10.1002/ejic.202000050.
    10.1002/ejic.202000050
  11. Helena I. S. Nogueira; Carlos Bornes; Sara Fateixa; Tito Trindade. "Raman and Fluorescence Imaging of Polyoxometalate Composite Agarose Films". European Journal of Inorganic Chemistry (2019): https://doi.org/10.1002/ejic.201801157.
    10.1002/ejic.201801157
  12. Carlos Bornes; Mariana Sardo; Zhi Lin; Jeffrey Amelse; Auguste Fernandes; Maria Filipa Ribeiro; Carlos Geraldes; João Rocha; Luís Mafra. "1H–31P HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide". Chemical Communications 55 84 (2019): 12635-12638. https://doi.org/10.1039/C9CC06763A.
    10.1039/C9CC06763A
Thesis / Dissertation
  1. Bornes, Carlos Manuel Pereira. "Study of zeolites acidic properties using solid-state NMR". Master, 2017. http://hdl.handle.net/10773/22764.
Distinctions

Award

2024 Best PhD thesis in Chemistry
Fundação Amélia de Mello, Portugal
2019 Winner of Galp Datathon - A quest for a solution
Galp Exploração e Produção Petrolífera SA, Portugal