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1. Tailoring topological order and {\pi}-conjugation to engineer quasi-metallic polymers

Author

Cirera, B., Sánchez-Grande, A., de la Torre, B., Santos, J., Edalatmanesh, S., Rodríguez-Sánchez, E., Lauwaet, K., Mallada-Faes, B., Zbořil, R., Miranda, R., Gröning, O., Jelínek, P., Martín, N., and Écija, D.

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science
Abstract

Topological band theory provides a conceptual framework to predict or even engineer robust metallic states at the boundaries of topologically distinct phases. The bulk-boundary correspondence requires that a topological electronic phase transition between two insulators must proceed via closing of the electronic gap. Therefore, it can provide a conceptual solution to the instability of metallic phases in {\pi}-conjugated 1D polymers. In this work we predict and demonstrate that a clever design and on-surface synthesis of polymers consisting of 1D linearly bridged polyacene moieties, can position the resulting polymer near the topological transition from a trivial to a non-trivial quantum phase featuring a very narrow bandgap with in-gap zero-energy edge-states at the topologically non-trivial phase. We also reveal the fundamental connection between topological classes and electronic transformation of 1D {\pi}-conjugated polymers.

Published
2019
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3. Resolving Atomic-Scale Defects in Conjugated Polymers On-Surfaces

Author

Mallada B., Chen Q., Chutora T., Sánchez-Grande A., Cirera B., Santos J., Martín, Nazario, Écija, David, Jelínek P., de la Torre B., Mallada B., Chen Q., Chutora T., Sánchez-Grande A., Cirera B., Santos J., Martín, Nazario, Écija, David, Jelínek P., and de la Torre B.

Published
2022

4. Electrically Tunable Reactivity of Substrate-Supported Cobalt Oxide Nanocrystals

Author

Sánchez-Grande A., Nguyën H.C., Lauwaet K., Rodríguez-Fernández J., Carrasco E., Cirera B., Sun Z., Urgel J.I., Miranda, Rodolfo, Lauritsen J.V., Gallego J.M., López N., Écija, David, Sánchez-Grande A., Nguyën H.C., Lauwaet K., Rodríguez-Fernández J., Carrasco E., Cirera B., Sun Z., Urgel J.I., Miranda, Rodolfo, Lauritsen J.V., Gallego J.M., López N., and Écija, David

Published
2022

6. Dysprosium-directed metallosupramolecular network on graphene/Ir(111)

Author

Moreno D., Cirera B., Parreiras S.O., Urgel J.I., Giménez-Agulló N., Lauwaet K., Gallego J.M., Galán-Mascarós J.R., Martínez J.I., Ballester P., Miranda R., Écija D. and This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 766555). This work has also been financed by the Spanish Ministerio de Ciencia, Innovación y Universidades (projects PGC 2018-098613-B-C21, SpOrQuMat, MAT2017-85089-C2-1-R) and the Comunidad de Madrid (projects S2018/NMT-4321, NanoMagCost). IMDEA Nanociencia thanks support from the ‘‘Severo Ochoa’’ Programme for Centers of Excellence in R&D (MINECO, Grant SEV-2016-0686).

Published
2021

8. On-surface synthesis of organocopper metallacycles through activation of inner diacetylene moieties

Author

Cirera B., Riss A., Mutombo P., Urgel J.I., Santos J., Di Giovannantonio M., Widmer R., Stolz S., Sun Q., Bommert M., Fasel R., Jelínek P., Auwarter W., Martín, Nazario, Écija, David, Cirera B., Riss A., Mutombo P., Urgel J.I., Santos J., Di Giovannantonio M., Widmer R., Stolz S., Sun Q., Bommert M., Fasel R., Jelínek P., Auwarter W., Martín, Nazario, and Écija, David

Published
2021

9. Tuning the Magnetic Anisotropy of Lanthanides on a Metal Substrate by Metal–Organic Coordination

Author

Parreiras S.O., Moreno D., Cirera B., Valbuena, Miguel Ángel, Urgel J.I., Paradinas M., Panighel M., Ajejas F., Niño M.A., Gallego J.M., Valvidares M., Gargiani P., Kuch W., Martínez J.I., Mugarza A., Camarero, Julio, Miranda, Rodolfo, Perna, Paolo, Écija, David, Parreiras S.O., Moreno D., Cirera B., Valbuena, Miguel Ángel, Urgel J.I., Paradinas M., Panighel M., Ajejas F., Niño M.A., Gallego J.M., Valvidares M., Gargiani P., Kuch W., Martínez J.I., Mugarza A., Camarero, Julio, Miranda, Rodolfo, Perna, Paolo, and Écija, David

Published
2021

10. Dysprosium-directed metallosupramolecular network on graphene/Ir(111)

Author

Moreno D., Cirera B., Parreiras S.O., Urgel J.I., Giménez-Agulló N., Lauwaet K., Gallego J.M., Galán-Mascarós J.R., Martínez J.I., Ballester P., Miranda, Rodolfo, Écija, David, Moreno D., Cirera B., Parreiras S.O., Urgel J.I., Giménez-Agulló N., Lauwaet K., Gallego J.M., Galán-Mascarós J.R., Martínez J.I., Ballester P., Miranda, Rodolfo, and Écija, David

Published
2021

12. Tailoring topological order and π-conjugation to engineer quasi-metallic polymers

Author

Cirera B., Sánchez-Grande A., de la Torre B., Santos J., Edalatmanesh S., Rodríguez-Sánchez E., Lauwaet K., Mallada B., Zbo?il R., Miranda R., Gröning O., Jelínek P., Martín N., Ecija D. and This work was supported by the ERC Consolidator Grant ELECNANO (no. 766555), the EC FP7-PEOPLE-2011-COFUND AMAROUT II, the Spanish Ramón y Cajal programme (no. RYC-2012-11133), the Spanish Ministerio de Economía y Competitividad (projects FIS 2013-40667-P and FIS 2015-67287-P) and the Comunidad de Madrid (projects QUIMTRONIC-CM (Y2018/NMT-4783), MAD2D (S2013/ MIT-3007), NANOFRONTMAG (S2013/MT-2850) and PHOTOCARBON (S2013/ MIT-2841)). We also acknowledge support from the European Research Council (ERC-320441-Chirallcarbon) and the MINECO of Spain (projects CTQ2017-83531-R and CTQ2016-81911-REDT). IMDEA Nanociencia thanks support from the Severo Ochoa Programme for Centers of Excellence in R&D (MINECO, grant SEV-2016-0686). We also acknowledge support of MEYS CR LM2018110, GACR 18-09914S and Operational Programme Research, Development and Education financed by European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports (project no. CZ.02.1.01/0.0/0.0/16_019/0000754). P.J. acknowledges support from Praemium Academie of the Academy of Science of the Czech Republic. S.E. and B.M. are grateful for support from the Internal Student Grant of Palacký University Olomouc in Olomouc, Czech Republic (project no. IGA_PrF_2019_026). P.J. and S.E. acknowledge access to computing and storage facilities owned by parties and projects contributing to the Czech National Grid Infrastructure MetaCentrum provided under the programme Projects of Large Research, Development, and Innovations Infrastructures (CESNET LM2015042).

Published
2020

13. On-surface synthesis of doubly-linked one-dimensional pentacene ladder polymers

Author

Biswas K., Urgel J.I., Sánchez-Grande A., Edalatmanesh S., Santos J., Cirera B., Mutombo P., Lauwaet K., Miranda R., Jelínek P., Martín N., Écija D. and We acknowledge the Comunidad de Madrid [project QUIMTRONIC-CM (Y2018/NMT-4783)], the EC FP7-PEOPLE-2011-COFUND AMAROUT II, the Spanish Ramón y Cajal programme (no. RYC-2012-11133), the Spanish MINECO (projects FIS 2013-40667-P, FIS 2015-67287-P) and Ministerio de Ciencia, Innovación y Universidades (project SpOrQuMat) and the Comunidad de Madrid (projects MAD2D, NanoMagCost). The MINECO of Spain (projects CTQ2017-83531-R and CTQ2016-81911-REDT) is also acknowledged. IMDEA Nanociencia thanks support from the ‘‘Severo Ochoa’’ Programme for Centers of Excellence in R&D (MINECO, Grant SEV-2016-0686). P. J. acknowledges support from Praemium Academie of the Academy of Science of the Czech Republic, GACR 18-09914S.

Published
2020

14. Tailoring π-conjugation and vibrational modes to steer on-surface synthesis of pentalene-bridged ladder polymers

Author

de la Torre B., Mat?j A., Sánchez-Grande A., Cirera B., Mallada B., Rodríguez-Sánchez E., Santos J., Mendieta-Moreno J.I., Edalatmanesh S., Lauwaet K., Otyepka M., Medve? M., Buendía Á., Miranda R., Martín N., Jelínek P., Écija D. and We acknowledge financial support from the Comunidad de Madrid [project QUIMTRONIC-CM (Y2018/NMT-4783)]. This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No 766555). MINECO of Spain (projects CTQ2017-83531-R and RED2018-102815-T) is also acknowledged. IMDEA Nanociencia thanks support from the 'Severo Ochoa' Program for Centers of Excellence in R&D (MINECO, Grant SEV-2016-0686). We also acknowledge support from Praemium Academie of the Academy of Science of the Czech Republic, GACR 18-09914S and Operational Program Research, Development and Education financed by European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports (Project No. CZ.02.1.01/0.0/0.0/16_019/0000754). A.M. and B.M. acknowledge the support from the Internal Student Grant Agency of the Palacký University in Olomouc, Czech Republic IGA_PrF_2020_022 and IGA PrF 2020_034.

Published
2020

15. On-surface synthesis of doubly-linked one-dimensional pentacene ladder polymers

Author

Biswas K., Urgel J.I., Sánchez-Grande A., Edalatmanesh S., Santos J., Cirera B., Mutombo P., Lauwaet K., Miranda, Rodolfo, Jelínek P., Martín, Nazario, Écija, David, Biswas K., Urgel J.I., Sánchez-Grande A., Edalatmanesh S., Santos J., Cirera B., Mutombo P., Lauwaet K., Miranda, Rodolfo, Jelínek P., Martín, Nazario, and Écija, David

Published
2020

16. Tailoring topological order and ��-conjugation to engineer quasi-metallic polymers

Author

Cirera, B., S��nchez-Grande, A., de la Torre, B., Santos, J., Edalatmanesh, S., Rodr��guez-S��nchez, E., Lauwaet, K., Mallada-Faes, B., Zbo��il, R., Miranda, R., Gr��ning, O., Jel��nek, P., Mart��n, N., and ��cija, D.

Subjects
Mesoscale and Nanoscale Physics (cond-mat.mes-hall), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences
Abstract

Topological band theory provides a conceptual framework to predict or even engineer robust metallic states at the boundaries of topologically distinct phases. The bulk-boundary correspondence requires that a topological electronic phase transition between two insulators must proceed via closing of the electronic gap. Therefore, it can provide a conceptual solution to the instability of metallic phases in ��-conjugated 1D polymers. In this work we predict and demonstrate that a clever design and on-surface synthesis of polymers consisting of 1D linearly bridged polyacene moieties, can position the resulting polymer near the topological transition from a trivial to a non-trivial quantum phase featuring a very narrow bandgap with in-gap zero-energy edge-states at the topologically non-trivial phase. We also reveal the fundamental connection between topological classes and electronic transformation of 1D ��-conjugated polymers.

Published
2019
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17. On-Surface Synthesis of Gold Porphyrin Derivatives via a Cascade of Chemical Interactions: Planarization, Self-Metalation, and Intermolecular Coupling

Author

Cirera B., De La Torre B., Moreno D., Ondrá?ek M., Zbo?il R., Miranda R., Jelínek P., Écija D. and Work supported by the ERC Consolidator Grant ELECNANO (n° 766555), the EC FP7-PEOPLE-2011-COFUND AMAR-OUT II program, the Spanish Ramo? and Cajal Program (n° RYC-2012-11133), the Spanish Ministerio de Economiá y Competitividad (Projects FIS 2013-40667-P and FIS 2015- 67287-P), the Comunidad de Madrid [Projects Y2018/NMT-4783 (QUIMTRONIC-CM), S2013/MIT-3007 (MAD2D), and CMS2018/NMT-4321 (NANOMAGCOST)], and the IMDEA Foundation. P.J. and M.O. acknowledge support from Praemium Academie of the Academy of Sciences of the Czech Republic, MEYS LM2015087 and GACR 18-09914S, and Operational Programme Research, Development and Education financed by European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports (Projects SOLID21 - CZ.02.1.01/0.0/0.0/16_019/0000760 and CZ.02.1.01/0.0/0.0/16_019/0000754). IMDEA Nano-ciencia is grateful for support from the 'Severo Ochoa' Programme for Centers of Excellence in R&D (MINECO, Grant SEV-2016-0686). The authors acknowledge Willi Auwarter,? Francesco Allegretti, and Anthoula C. Papageorgiou for fruitful discussions.

Published
2019

18. On-Surface Synthesis of Ethynylene-Bridged Anthracene Polymers

Author

Sánchez-Grande A., de la Torre B., Santos J., Cirera B., Lauwaet K., Chutora T., Edalatmanesh S., Mutombo P., Rosen J., Zbo?il R., Miranda R., Björk J., Jelínek P., Martín N., Écija D. and This work was supported by the Comunidad de Madrid (Projects Y2018/NMT-4783 (QUIMTRONIC-CM), S2013/ MIT-3007 (MAD2D), and S2018/NMT (NANOMAGCOST-CM)), the European Research Council (ERC-320441-Chir-allcarbon and ERC-766555-ELECNANO), the Spanish Ramón y Cajal programme (No. RYC-2012-11133), and the MINECO of Spain (Projects FIS 2015-67287-P, CTQ2017-83531-R, and CTQ2016-81911-REDT). The IMDEA Nano-ciencia acknowledges support from the Severo Ochoa Programme for Centers of Excellence in R&D (MINECO, Grant SEV-2016-0686). P.J. acknowledges support from the Prae-mium Academie of the Academy of Science of the Czech Republic, MEYS LM2015087 and GACR 18–09914S, and the Operational Programme Research, Development, and Education financed by the European Structural and Investment Funds and the Czech Ministry of Education, Youth, and Sports (Project No. CZ.02.1.01/0.0/0.0/16 019/0000754). The authors acknowledge the support from the Czech Science Foundation under Project No. 19-27454X. J.B. and J.R. acknowledge financial support from the Swedish Research Council (642-2013-2080), the Swedish Strategic Research Area in Materials Science on Functional Materials at Link-çping University (Faculty Grant SFO-Mat-LiU No 2009 00971), and computational resources at the National Supercomputer Centre, Sweden, allocated by SNIC. The authors thank Dr. Oliver Grçning for fruitful discussions.

Published
2019

20. On-Surface Synthesis of Ethynylene-Bridged Anthracene Polymers

Author

Sánchez-Grande A., de la Torre B., Santos J., Cirera B., Lauwaet K., Chutora T., Edalatmanesh S., Mutombo P., Rosen J., Zbořil R., Miranda, Rodolfo, Björk J., Jelínek P., Martín, Nazario, Écija, David, Sánchez-Grande A., de la Torre B., Santos J., Cirera B., Lauwaet K., Chutora T., Edalatmanesh S., Mutombo P., Rosen J., Zbořil R., Miranda, Rodolfo, Björk J., Jelínek P., Martín, Nazario, and Écija, David

Published
2019

23. Long-Range Orientational Self-Assembly, Spatially Controlled Deprotonation, and Off-Centered Metalation of an Expanded Porphyrin

Author

Cirera B., Trukhina O., Björk J., Bottari G., Rodríguez-Fernández J., Martin-Jimenez A., Islyaikin M.K., Otero R., Gallego J.M., Miranda R., Torres T., Ecija D. and 'Work supported by the Spanish Ministerio de Economia y Competitividad (MINECO) (RYC-2012-11133, FIS 2013-40667-P, CTQ2014-52869-P, FIS 2015-67287-P), the Comunidad de Madrid (S2013/MIT-2841, NANOFRONTMAG, FOTOCARBON',' S2013/MIT-3007, MAD2D), the European Union (FP7-PEOPLE-2011-COFUND AMAROUT II program), and the Russian Science Foundation (Project No. 14-23-00204-P). Computational resources were allocated at the National Supercomputer Centre, Sweden.'

Published
2017

24. Preservation of electronic properties of double-decker complexes on metallic supports

Author

Cirera B., Matarrubia J., Kaposi T., Giménez-Agulló N., Paszkiewicz M., Klappenberger F., Otero R., Gallego J.M., Ballester P., Barth J.V., Miranda R., Galán-Mascarós J.R., Auwärter W., Ecija D. and We acknowledge the financial support received from the EU (projects ERC Advanced Grant MolArt (no. 247299), ERC Consolidator Grant Nanosurfs (no. 615233), ERC Starting Grant CHEMCOMP (no. 279313), EC FP7-PEOPLE-2011-COFUND AMAROUT II program), the Spanish Ministerio de Econom?a y Competitividad (MINECO) (RYC-2012-11133, FIS 2013-40667-P, FIS 2015-67287-P and Severo Ochoa Excellence Accreditation 2014-2018 SEV-2013-0319), the Comunidad de Madrid (project MAD2D), Generalitat de Catalunya (2014-SGR-797), the IMDEA Foundation, the ICIQ Foundation, the German Research Foundation (DFG) via KL 2294/3-1, and the Munich-Center for Advanced Photonics (MAP). WA acknowledges funding received by the DFG via a Heisenberg professorship.

Published
2017

25. Tuning Intermolecular Charge Transfer in Donor-Acceptor Two-Dimensional Crystals on Metal Surfaces

Author

Rodríguez-Fernández J., Robledo M., Lauwaet K., Martín-Jiménez A., Cirera B., Calleja F., Díaz-Tendero S., Alcamí M., Floreano L., Domínguez-Rivera M., Vázquez De Parga A.L., Écija D., Gallego J.M., Miranda R., Martín F., Otero R. and The authors acknowledge financial support from the Spanish Ministry for Economy and Competitiveness (Grants FIS2012-33011, FIS2015-67367-C2-1-P, FIS2013-42002-R, FIS2016-77889-R, CTQ2013-43698-P, CTQ2016-76061-P), the regional government of Comunidad de Madrid (Grants S2009/ MAT1726 and S2013/MIT-3007), Universidad Autonomá de Madrid (UAM/48) and IMDEA Nanoscience. L.F. acknowledges financial support from MIUR (PRIN-2010BNZ3F2, Project DESCARTES), S.D.-T. acknowledges the ‘'Ramo? y Cajal'’ program of the MINECO (RYC-2010-07019), and the Mariá de Maeztu Programme for Units of Excellence in R&D of the MINECO (MDM-2014-0377). We thank the Center for Scientific Computing of the Autonomous University (CCC-UAM) and the Spanish Supercomputing Network (RES) for the allocation of computer time. Technical support for the realization of the experiments by Dr. M. Á. Matarrubia is gratefully acknowledged.

Published
2017

27. Dysprosium-carboxylate nanomeshes with tunable cavity size and assembly motif through ionic interactions

Author

Cirera B., Dorevi? L., Otero R., Gallego J.M., Bonifazi D., Miranda R., Ecija D. and Work supported by the European Union (FP7-PEOPLE-2011-COFUND AMAROUT II program, ERC Starting Grant COLORLANDS), the Spanish Ministerio de Economia y Competitividad (projects FIS 2013-40667-P, FIS 2015-67287-P, Ramon and Cajal grant RYC-2012-11133), the Comunidad de Madrid (projects MAD2D, NANOFRONTMAG), the FRS-FNRS (FRFC Contract No. 2.4.550.09), the MIUR through the FIRB Futuro in Ricerca SUPRACARBON (Contract No. RBFR10DAK6), and the IMDEA Foundation.

Published
2016

28. Thermal selectivity of intermolecular versus intramolecular reactions on surfaces

Author

Cirera B., Giménez-Agulló N., Björk J., Martínez-Peña F., Martin-Jimenez A., Rodriguez-Fernandez J., Pizarro A.M., Otero R., Gallego J.M., Ballester P., Galan-Mascaros J.R., Ecija D. and We thank the financial support of the EU (projects ERC Starting Grant CHEMCOMP no 279313, EC FP7-PEOPLE-2011-COFUND AMAROUT II program, EC FP7-PEOPLE-2013-CIG (no. 631396) and FEDER CTQ2014-56295-R), the Spanish Ministerio de Economía y Competitividad (MINECO) (projects RYC-2012-11133, RYC-2012-11231, CTQ2014-56295-R, CTQ2014-52974-REDC and Severo Ochoa Excellence Accreditation 2014-2018 SEV-2013-0319), the Comunidad de Madrid (project MAD2D), the Gen-eralitat de Catalunya (2014-SGR-797), the ICIQ Foundation and the IMDEA Foundation. We acknowledge Professor R. Miranda for fruitful discussions.

Published
2016

30. Tuning Intermolecular Charge Transfer in Donor-Acceptor Two-Dimensional Crystals on Metal Surfaces

Author

Rodríguez-Fernández J., Robledo M., Lauwaet K., Martín-Jiménez A., Cirera B., Calleja, Fabián, Díaz-Tendero S., Alcamí M., Floreano L., Domínguez-Rivera M., Vázquez de Parga, Amadeo L., Écija, David, Gallego J.M., Miranda, Rodolfo, Martín, Fernando, Otero, Roberto, Rodríguez-Fernández J., Robledo M., Lauwaet K., Martín-Jiménez A., Cirera B., Calleja, Fabián, Díaz-Tendero S., Alcamí M., Floreano L., Domínguez-Rivera M., Vázquez de Parga, Amadeo L., Écija, David, Gallego J.M., Miranda, Rodolfo, Martín, Fernando, and Otero, Roberto

Published
2017

31. Long-Range Orientational Self-Assembly, Spatially Controlled Deprotonation, and Off-Centered Metalation of an Expanded Porphyrin

Author

Cirera B., Trukhina O., Björk J., Bottari, Giovanni, Rodríguez-Fernández J., Martin-Jimenez A., Islyaikin M.K., Otero, Roberto, Gallego J.M., Miranda, Rodolfo, Torres, Tomás, Écija, David, Cirera B., Trukhina O., Björk J., Bottari, Giovanni, Rodríguez-Fernández J., Martin-Jimenez A., Islyaikin M.K., Otero, Roberto, Gallego J.M., Miranda, Rodolfo, Torres, Tomás, and Écija, David

Published
2017

32. Preservation of electronic properties of double-decker complexes on metallic supports

Author

Cirera B., Matarrubia J., Kaposi T., Giménez-Agulló N., Paszkiewicz M., Klappenberger F., Otero, Roberto, Gallego J.M., Ballester P., Barth J.V., Miranda, Rodolfo, Galán-Mascarós J.R., Auwärter W., Écija, David, Cirera B., Matarrubia J., Kaposi T., Giménez-Agulló N., Paszkiewicz M., Klappenberger F., Otero, Roberto, Gallego J.M., Ballester P., Barth J.V., Miranda, Rodolfo, Galán-Mascarós J.R., Auwärter W., and Écija, David

Published
2017

34. Efficient Lanthanide Catalyzed Debromination and Oligomeric Length-Controlled Ullmann Coupling of Aryl Halides

Author

Cirera, B., Björk, Jonas, Otero, R., Gallego, J. M., Miranda, R., Ecija, D., Cirera, B., Björk, Jonas, Otero, R., Gallego, J. M., Miranda, R., and Ecija, D.

Abstract

Lanthanide elements play a vital role in a broad range of high-tech applications, and there is an increasing interest in their catalytic activity, particularly in organo-metallics. However, their catalytic role on surfaces remains unexplored. Here, we present a scanning tunneling microscopy and density functional theory study of the debromination, contacting, and coupling of dibromine terphenyl species with Dy (f-block element) and Ag (d-block element) adatoms, respectively. We show that Dy debrominates the targeted species more efficiently than Ag adatoms at room temperature, promoting the formation of unprecedented C-Dy-C organo-metallic supramolecules versus C-Ag-C parallel chains for the Ag case. DFT calculations corroborate our results showing an almost spontaneous debromination process with Dy compared to Ag. Upon annealing, for samples containing Dy, the formation of C-Ag-C organometallic bonds and concomitant C-C coupling is inhibited, giving rise to a self-assembly of debrominated monomers, showing only a minority number of covalent dimes species. For samples without Dy covalent chains of irregular length are promoted. Our studies open new avenues for using lanthanide elements as efficient dehalogenation catalysts. Furthermore, we illustrate their potential as inhibitors of uncontrolled C-C coupling reactions, of great relevance for fine-tuning the length of polymeric compounds., Funding Agencies|EC FP7-PEOPLE-COFUND AMAROUT II program; Spanish Ramon and Cajal Program [RYC-2012-11133]; Spanish Ministerio de Economia y Competitividad [FIS 2013-40667-P, FIS 2015-67287-P]; Comunidad de Madrid (projects MAD2D, NANOFRONTMAG) [52013/MT-2850]; IMDEA Foundation

Published
2017
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35. Preservation of electronic properties of double-decker complexes on metallic supports

Author

European Research Council, European Commission, Ministerio de Economía y Competitividad (España), Comunidad de Madrid, Generalitat de Catalunya, German Research Foundation, Institut Català d'Investigació Química, Cirera, B., Matarrubia, J., Kaposi, T., Giménez-Agulló, N., Paszkiewicz, M., Klappenberger, Florian, Otero, Roberto, Gallego, José M., Ballester, P., Barth, J. V., Miranda, Rodolfo, Galán-Mascarós, José Ramón, Auwärter, W., Écija, David, European Research Council, European Commission, Ministerio de Economía y Competitividad (España), Comunidad de Madrid, Generalitat de Catalunya, German Research Foundation, Institut Català d'Investigació Química, Cirera, B., Matarrubia, J., Kaposi, T., Giménez-Agulló, N., Paszkiewicz, M., Klappenberger, Florian, Otero, Roberto, Gallego, José M., Ballester, P., Barth, J. V., Miranda, Rodolfo, Galán-Mascarós, José Ramón, Auwärter, W., and Écija, David

Abstract

Single-molecule magnets based on lanthanide double-deckers are attracting significant attention due to their unrivaled single-ion anisotropy. To exploit their fascinating electronic and magnetic properties in devices for information storage or spin transport, studies on the preservation or variation of electronic and magnetic functionalities upon adsorption on surfaces are necessary. Herein, we introduced a comprehensive scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) surface science study, complemented by density functional theory (DFT) simulations, of a recently synthesized single-molecule magnet based on porphyrazine deckers, conveniently equipped with ethyl moieties to make them soluble and sublimable. We demonstrated that the double-decker species were intactly adsorbed on Au(111), Ag(111), and Cu(111) in a flat-on fashion and self-assembled in hexagonal close-packed layers. Systematic multi- and monolayer XPS was performed on the surface-confined species, confirming the preservation of the electronic properties of the ligands and the lanthanide center upon adsorption.

Published
2017

36. Efficient Lanthanide Catalyzed Debromination and Oligomeric Length-Controlled Ullmann Coupling of Aryl Halides

Author

Ministerio de Economía y Competitividad (España), European Commission, Comunidad de Madrid, Cirera, B., Björk, Jonas, Otero, Roberto, Gallego, José M., Miranda, Rodolfo, Écija, David, Ministerio de Economía y Competitividad (España), European Commission, Comunidad de Madrid, Cirera, B., Björk, Jonas, Otero, Roberto, Gallego, José M., Miranda, Rodolfo, and Écija, David

Abstract

Lanthanide elements play a vital role in a broad range of high-tech applications, and there is an increasing interest in their catalytic activity, particularly in organometallics. However, their catalytic role on surfaces remains unexplored. Here, we present a scanning tunneling microscopy and density functional theory study of the debromination, contacting, and coupling of dibromine terphenyl species with Dy (f-block element) and Ag (d-block element) adatoms, respectively. We show that Dy debrominates the targeted species more efficiently than Ag adatoms at room temperature, promoting the formation of unprecedented C-Dy-C organometallic supramolecules versus C-Ag-C parallel chains for the Ag case. DFT calculations corroborate our results showing an almost spontaneous debromination process with Dy compared to Ag. Upon annealing, for samples containing Dy, the formation of C-Ag-C organometallic bonds and concomitant C-C coupling is inhibited, giving rise to a self-assembly of debrominated monomers, showing only a minority number of covalent dimer species. For samples without Dy covalent chains of irregular length are promoted. Our studies open new avenues for using lanthanide elements as efficient dehalogenation catalysts. Furthermore, we illustrate their potential as inhibitors of uncontrolled C-C coupling reactions, of great relevance for fine-tuning the length of polymeric compounds.

Published
2017

38. Preservation of electronic properties of double-decker complexes on metallic supports

Author

Cirera, B., primary, Matarrubia, J., additional, Kaposi, T., additional, Giménez-Agulló, N., additional, Paszkiewicz, M., additional, Klappenberger, F., additional, Otero, R., additional, Gallego, J. M., additional, Ballester, P., additional, Barth, J. V., additional, Miranda, R., additional, Galán-Mascarós, J. R., additional, Auwärter, W., additional, and Ecija, D., additional

Published
2017
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39. Thermal selectivity of intermolecular versus intramolecular reactions on surfaces

Author

Cirera B., Giménez-Agulló N., Björk J., Martínez-Peña F., Martin-Jimenez A., Rodríguez-Fernández J., Pizarro, Ana M., Otero, Roberto, Gallego J.M., Ballester P., Galán-Mascarós J.R., Écija, David, Cirera B., Giménez-Agulló N., Björk J., Martínez-Peña F., Martin-Jimenez A., Rodríguez-Fernández J., Pizarro, Ana M., Otero, Roberto, Gallego J.M., Ballester P., Galán-Mascarós J.R., and Écija, David

Published
2016

41. Dysprosium-carboxylate nanomeshes with tunable cavity size and assembly motif through ionic interactions

Author

European Research Council, Ministerio de Economía y Competitividad (España), Comunidad de Madrid, Ministero dell'Istruzione, dell'Università e della Ricerca, Fonds de la Recherche Scientifique (Fédération Wallonie-Bruxelles), Cirera, B., Dordevic, L., Otero, Roberto, Gallego, José M., Bonifazi, D., Miranda, Rodolfo, Écija, David, European Research Council, Ministerio de Economía y Competitividad (España), Comunidad de Madrid, Ministero dell'Istruzione, dell'Università e della Ricerca, Fonds de la Recherche Scientifique (Fédération Wallonie-Bruxelles), Cirera, B., Dordevic, L., Otero, Roberto, Gallego, José M., Bonifazi, D., Miranda, Rodolfo, and Écija, David

Abstract

We report the design of dysprosium directed metallo-supramolecular architectures on a pristine Cu(111) surface. By an appropriate selection of the ditopic molecular linkers equipped with terminal carboxylic groups (TPA, PDA and TDA species), we create reticular and mononuclear metal-organic nanomeshes of tunable internodal distance, which are stabilized by eight-fold Dy⋯O interactions. A thermal annealing treatment for the reticular Dy:TDA architecture gives rise to an unprecedented quasi-hexagonal nanostructure based on dinuclear Dy clusters, exhibiting a unique six-fold Dy⋯O bonding motif. All metallo-supramolecular architectures are stable at room temperature. Our results open new avenues for the engineering of supramolecular architectures on surfaces incorporating f-block elements forming thermally robust nanoarchitectures through ionic bonds.

Published
2016

43. Trends in young adult mortality in three European cities: Barcelona, Bologna and Munich, 1986-1995

Author

Borrell, C, Pasarin, M I., Cirera, B, Klutke, P, Pipitone, E, and Plasencia, A

Subjects
Statistics, Patient outcomes, Mortality -- Statistics -- Europe, Young adults -- Patient outcomes -- Statistics, Traffic accidents -- Statistics, Overdose -- Patient outcomes, Drugs -- Overdose
Abstract

Objective--In recent decades, in most European countries young adult mortality has risen, or at best has remained stable. The aim of this study was to describe trends in mortality attributable [...]

Published
2001

45. Surface-Supported Robust 2D Lanthanide-Carboxylate Coordination Networks

Author

Urgel J.I., Cirera B., Wang Y., Auwärter W., Otero, Roberto, Gallego J.M., Alcamí M., Klyatskaya S., Ruben M., Martín, Fernando, Miranda, Rodolfo, Écija, David, Barth J.V., Urgel J.I., Cirera B., Wang Y., Auwärter W., Otero, Roberto, Gallego J.M., Alcamí M., Klyatskaya S., Ruben M., Martín, Fernando, Miranda, Rodolfo, Écija, David, and Barth J.V.

Published
2015

46. Single-molecule tip-enhanced Raman spectroscopy of C 60 on the Si(111)-(7 × 7) surface.

Author

Cirera B, Liu S, Park Y, Hamada I, Wolf M, Shiotari A, and Kumagai T

Abstract

Tip-enhanced Raman spectroscopy (TERS), combined with low-temperature scanning tunnelling microscopy (STM), has emerged as a highly sensitive method for chemical characterization, offering even sub-molecular resolution. However, its exceptional sensitivity is generally limited to molecules adsorbed onto plasmonic surfaces. Here we demonstrate single-molecule TERS for fullerene (C 60 ) adsorbed on the Si(111)-(7 × 7) reconstructed surface. Distinct adsorption geometries of C 60 are manifested in the TERS spectra. In addition, we reveal that formation of a molecular-point-contact (MPC) drastically enhances Raman scattering and leads to the emergence of additional vibrational peaks, including overtones and combinations. In the MPC regime, the anti-Stokes peaks are observed, revealing that vibrationally excited states are populated through optical excitation of the MPC junction, whereas showing no significant vibrational heating by current flow via inelastic electron-vibration scattering. Our results will open up the possibility of applying TERS for semiconducting surfaces and studying microscopic mechanisms of vibrational heating in metal-molecule-semiconductor nanojunctions.

Published
2024
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47. An epigenetic switch controls an alternative NR2F2 isoform that unleashes a metastatic program in melanoma.

Author

Davalos V, Lovell CD, Von Itter R, Dolgalev I, Agrawal P, Baptiste G, Kahler DJ, Sokolova E, Moran S, Piqué L, Vega-Saenz de Miera E, Fontanals-Cirera B, Karz A, Tsirigos A, Yun C, Darvishian F, Etchevers HC, Osman I, Esteller M, Schober M, and Hernando E

Subjects
Humans, Cell Line, Tumor, Epithelial-Mesenchymal Transition genetics, Epigenesis, Genetic, Protein Isoforms genetics, Protein Isoforms metabolism, Gene Expression Regulation, Neoplastic, COUP Transcription Factor II metabolism, Melanoma pathology, Skin Neoplasms genetics, Skin Neoplasms metabolism
Abstract

Metastatic melanoma develops once transformed melanocytic cells begin to de-differentiate into migratory and invasive melanoma cells with neural crest cell (NCC)-like and epithelial-to-mesenchymal transition (EMT)-like features. However, it is still unclear how transformed melanocytes assume a metastatic melanoma cell state. Here, we define DNA methylation changes that accompany metastatic progression in melanoma patients and discover Nuclear Receptor Subfamily 2 Group F, Member 2 - isoform 2 (NR2F2-Iso2) as an epigenetically regulated metastasis driver. NR2F2-Iso2 is transcribed from an alternative transcriptional start site (TSS) and it is truncated at the N-terminal end which encodes the NR2F2 DNA-binding domain. We find that NR2F2-Iso2 expression is turned off by DNA methylation when NCCs differentiate into melanocytes. Conversely, this process is reversed during metastatic melanoma progression, when NR2F2-Iso2 becomes increasingly hypomethylated and re-expressed. Our functional and molecular studies suggest that NR2F2-Iso2 drives metastatic melanoma progression by modulating the activity of full-length NR2F2 (Isoform 1) over EMT- and NCC-associated target genes. Our findings indicate that DNA methylation changes play a crucial role during metastatic melanoma progression, and their control of NR2F2 activity allows transformed melanocytes to acquire NCC-like and EMT-like features. This epigenetically regulated transcriptional plasticity facilitates cell state transitions and metastatic spread., (© 2023. The Author(s).)

Published
2023
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48. Iron complexes of bridging azo ligands in aqueous solution: changes in the thermal switching mechanism on coordination and oxidation state of metal centres.

Author

Bardají M, Font-Bardia M, Gallen A, Garcia-Cirera B, Ferrer M, and Martínez M

Abstract

Three azobenzenes CN(C 6 H 4 )-NN-(C 5 H 4 N) (py-iso), CN(C 6 H 4 )-NN-(C 6 H 4 )CN (cyano-iso) and CN(C 6 H 4 )-NN-(C 6 H 4 )NC (iso-iso) with good coordinating groups (pyridine, phenylcyano or phenylisocyano) at the ends of the diazenyl unit have been synthesized and fully characterised. These compounds have been used as ligands in the synthesis of water-soluble metallic species by coordination to {Fe II (CN) 5 3- } units, either in one or two of the anchoring groups of the derivatives. Both the azo derivatives and their complexes are photochemically active with respect to their trans -to- cis isomerisation process. Their cis -to- trans reverse thermal reaction has been thoroughly studied as a function of the donor groups, solvent, temperature and pressure, in order to gain insight into the rotation or inversion mechanisms involved in the process. A comparison of the isomerisation mechanism between the iron complexes and the corresponding free ligands revealed an interesting fine tuning of the process on coordination of the {Fe II (CN) 5 3- } moieties, which may even produce, in some cases, non-photoswitchable species containing typically photoactive units.

Published
2023
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49. Joule Heating in Single-Molecule Point Contacts Studied by Tip-Enhanced Raman Spectroscopy.

Author

Cirera B, Wolf M, and Kumagai T

Abstract

Heating and cooling in current-carrying molecular junctions is a crucial issue in molecular electronics. The microscopic mechanism involves complex factors such as energy inputs, molecular properties, electrode materials, and molecule-electrode coupling. To gain an in-depth understanding, it is a desired experiment to assess vibrational population that represents the energy distribution stored within the molecule. Here, we demonstrate the direct observation of vibrational heating in a single C 60 molecule by means of tip-enhanced Raman spectroscopy (TERS). The heating of respective vibrational modes is monitored by anti-Stokes Raman scattering in the TERS spectra. The precise control of the gap distance in the single-molecule junction allows us to reveal a qualitatively different heating mechanism in distinct electron transport regimes, namely, the tunneling and single-molecule point contact (SMPC) regimes. Strong Joule heating via inelastic electron-vibration scattering occurs in the SMPC regime, whereas optical heating is predominant in the tunneling regime. The strong Joule heating at the SMPC also leads to a pronounced red shift of the Raman peak position and line width broadening. Furthermore, by examining the SMPC with several types of contact surfaces, we show that the heating efficiency is related to the current density at the SMPC and the vibrational dissipation channels into the electrode.

Published
2022
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50. Resolving Atomic-Scale Defects in Conjugated Polymers On-Surfaces.

Author

Mallada B, Chen Q, Chutora T, Sánchez-Grande A, Cirera B, Santos J, Martín N, Ecija D, Jelínek P, and de la Torre B

Abstract

Atomic scale defects significantly affect the mechanical, electronic, and optical properties of π-conjugated polymers. Here, isolated atomic-scale defects are deliberately introduced into a prototypical anthracene-ethynylene π-conjugated polymer, and its local density of states is carefully examined on the atomic scale to show how individual defects modify the inherent electronic and magnetic properties of this one-dimensional systems. Scanning tunneling and atomic force microscopy experiments, supplemented with density functional theory calculations, reveal the existence of a sharp electronic resonance at the Fermi energy around certain defects, which is associated with the formation of a local magnetic moment accompanied by substantial mitigation of the mobility of charge carriers. While defects in traditionally synthesized polymers lead to arbitrary conformations, the presented results clearly reflect the preferential formation of low dimensional defects at specific polymer sites, which may introduce the possibility of engineering macroscopic defects in surface-synthesized conjugated polymers., (© 2022 Wiley-VCH GmbH.)

Published
2022
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