Elucidating fullerene-perovskite interactions by means of First-principles calculations: Towards a rational design of low cost solar cells

Project Information

Fullerene_PSC

Grant agreement ID: 101020330

DOI

10.3030/101020330

Project closed

EC signature date 25 February 2021

Start date 1 July 2022

End date 30 June 2024

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 160 932,48

EU contribution

€ 160 932,48

Coordinated by

UNIVERSITAT DE GIRONA
Spain

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (11)

A Non Expected Alternative Ni(0) Species in the Ni-Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5-Diaza-3,7-diphosphacyclooctane Ligand

Author(s): Juliane Heitkämper, Dr. Sergio Posada-Pérez, Sílvia Escayola, Prof. Dr. Miquel Solà, Prof. Dr. Johannes Kästner, Dr. Albert Poater
Published in: Chemistry European Journal, 2023, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202300193

Influence of the Ethanol Content of Adduct on the Comonomer Incorporation of Related Ziegler–Natta Catalysts in Propylene (Co)polymerizations

Author(s): Mohammadreza Mehdizadeh,Fereshteh Karkhaneh,Mehdi Nekoomanesh,Samahe Sadjadi,Mehrsa Emami ,HamidReza Teimoury ,Mehrdad Salimi ,Miquel Solà ,Albert Poater, Naeimeh Bahri-Laleh Sergio Posada-Pérez
Published in: Polymers, 2024, ISSN 2073-4360
Publisher: mdpi
DOI: 10.3390/polym15234476

Density functional investigation of the interaction of H2O with spinel Li1-xMn2O4 surfaces: Implications for aqueous Li-ion batteries

Author(s): Gibu George; Sergio Posada-Pérez; Albert Poater; Miquel Solà
Published in: Applied Surface Science, 2023, ISSN 1873-5584
Publisher: Elsevier
DOI: 10.1016/j.apsusc.2022.155822

Precise control of the site selectivity in ruthenium-catalyzed C–H bond amidations using cyclic amides as powerful directing groups

Author(s): Yu-Chao Yuan; Qiu-Li Lu; Xiao-Tong Zhu; Sergio Posada-Pérez; Miquel Solà; Albert Poater; Thierry Roisnel; Rafael Gramage-Doria
Published in: Organic Chemistry Frontiers, Issue 1, 2023, ISSN 2052-4129
Publisher: Royal Society
DOI: 10.1039/d2qo01434c

Selective absorption of H2S and CO2 by azole based protic ionic liquids: A combined Density Functional Theory and Molecular Dynamic simulations study

Author(s): Abdul Rajjak Shaikh, Sergio Posada-Pérez, Artur Brotons-Rufes, Jason J. Pajski, Vajiha, Gulshan Kumar, Ayesha Mateen, Albert Poater, Miquel Solà, Mohit Chawla, Luigi Cavallo
Published in: Journal of Molecular Liquids, 2022, ISSN 0167-7322
Publisher: Elsevier BV
DOI: 10.1016/j.molliq.2022.120558

Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction

Author(s): Lole Jurado; Jerome Esvan; Ligia A. Luque-Álvarez; Luis F. Bobadilla; José A. Odriozola; Sergio Posada-Pérez; Albert Poater; Aleix Comas-Vives; M. Rosa Axet
Published in: Catalysis Science & Technology, Issue 1, 2023, ISSN 2044-4753
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2cy02094g

2D carbon nitride as a support with single Cu, Ag, and Au atoms for carbon dioxide reduction reaction

Author(s): Sergio Posada-Perez; Anna Vidal-Lopez; Miquel Solà; Albert Poater
Published in: Physical Chemistry Chemical Physics, 2023, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3cp00392b

Au Single Metal Atom for Carbon Dioxide Reduction Reaction

Author(s): Anna Vidal-López; Sergio Posada-Pérez; Miquel Solà; Albert Poater
Published in: Chemistry, Issue 1, 2023, ISSN 2624-8549
Publisher: mdpi
DOI: 10.3390/chemistry5020095

Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review

Author(s): Sergio Posada-Pérez; Miquel Solà; Albert Poater
Published in: Catalysts, 2023, vol. 13, núm. 2, p. 305, 2023, ISSN 2073-4344
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal13020305

Unveiling Oxygen Evolution Reaction on LiCoO2 Cathode: Insights for the Development of High-Performance Aqueous Lithium-ion Batteries

Author(s): Gibu George, Albert Poater, Miquel Solà, Sergio Posada-Pérez
Published in: Batteries & Supercaps, 2024, ISSN 2751-4765
Publisher: Wiley
DOI: 10.1002/batt.202300452

Interaction of C60 with Methylammonium Lead Iodide Perovskite Surfaces: Unveiling the Role of C60 in Surface Engineering

Author(s): Gibu George, Sergio Posada-Pérez
Published in: Chemistry European Journal, 2024, ISSN 1521-3765
Publisher: Wiley
DOI: 10.1002/chem.202401283