Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations
Ebadi, Mahsa, Marchiori, Cleber, Mindemark, Jonas, Brandell, Daniel, Araujo, C. Moyses
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2019)
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Journal Article
π‐Conjugation Enables Ultra‐High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode‐Active Battery Materials
Acker, Pascal, Rzesny, Luisa, Marchiori, Cleber F. N., Araujo, C. Moyses, Esser, Birgit
Published in Advanced functional materials (01.11.2019)
Published in Advanced functional materials (01.11.2019)
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Journal Article
Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions
Zaar, Felicia, Moyses Araujo, C, Emanuelsson, Rikard, Strømme, Maria, Sjödin, Martin
Published in Dalton transactions : an international journal of inorganic chemistry (01.08.2023)
Published in Dalton transactions : an international journal of inorganic chemistry (01.08.2023)
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Journal Article
On the Conformation of Dimeric Acceptors and Their Polymer Solar Cells with Efficiency over 18
Wu, Jingnan, Ling, Zhaoheng, Franco, Leandro R. R., Jeong, Sang Young, Genene, Zewdneh, Mena, Josue, Chen, Si, Chen, Cailing, Araujo, C. Moyses, Marchiori, Cleber F. N., Kimpel, Joost, Chang, Xiaoming, Isikgor, Furkan H. H., Chen, Qiaonan, Faber, Hendrik, Han, Yu, Laquai, Frederic, Zhang, Maojie, Woo, Han Young, Yu, Donghong, Anthopoulos, Thomas D. D., Wang, Ergang
Published in Angewandte Chemie International Edition (06.11.2023)
Published in Angewandte Chemie International Edition (06.11.2023)
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Journal Article
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution
Franco, Leandro Rezende, Toledo, Kalil Cristhian Figueiredo, Matias, Tiago Araujo, Araujo, C. Moyses, Araki, Koiti, Coutinho, Kaline
Published in Physical chemistry chemical physics : PCCP (20.09.2023)
Published in Physical chemistry chemical physics : PCCP (20.09.2023)
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Journal Article
Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics
Franco, Leandro R., Marchiori, Cleber, Araujo, C. Moyses
Published in The Journal of chemical physics (28.11.2023)
Published in The Journal of chemical physics (28.11.2023)
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Journal Article
Electrolyte decomposition on Li-metal surfaces from first-principles theory
Ebadi, Mahsa, Brandell, Daniel, Araujo, C Moyses
Published in The Journal of chemical physics (28.11.2016)
Published in The Journal of chemical physics (28.11.2016)
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Journal Article
An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution
Pati, Palas Baran, Damas, Giane, Tian, Lei, Fernandes, Daniel LA, Zhang, Lei, Pehlivan, Ilknur Bayrak, Edvinsson, Tomas, Araujo, CMoyses, Tian, Haining
Published in Energy & environmental science (2017)
Published in Energy & environmental science (2017)
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Journal Article
Modelling the Polymer Electrolyte/Li-Metal Interface by Molecular Dynamics simulations
Ebadi, Mahsa, Costa, Luciano T., Araujo, C. Moyses, Brandell, Daniel
Published in Electrochimica acta (20.04.2017)
Published in Electrochimica acta (20.04.2017)
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Journal Article
Spectroscopic Fingerprints of Intermolecular H‐Bonding Interactions in Carbon Nitride Model Compounds
Lanzilotto, Valeria, Silva, J. Luis, Zhang, Teng, Stredansky, Matuš, Grazioli, Cesare, Simonov, Konstantin, Giangrisostomi, Erika, Ovsyannikov, Ruslan, De Simone, Monica, Coreno, Marcello, Araujo, C. Moyses, Brena, Barbara, Puglia, Carla
Published in Chemistry : a European journal (20.09.2018)
Published in Chemistry : a European journal (20.09.2018)
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Journal Article
Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials
Carvalho, Rodrigo P., Alhanash, Mirna, Marchiori, Cleber F. N., Brandell, Daniel, Araujo, C. Moyses
Published in ChemSusChem (22.06.2022)
Published in ChemSusChem (22.06.2022)
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Journal Article
Molecular origin of efficient hole transfer from non-fullerene acceptors: insights from first-principles calculations
Benatto, Leandro, Marchiori, Cleber F. N, Araujo, C. Moyses, Koehler, Marlus
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2019)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2019)
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Journal Article
Unraveling the acid-base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand
Franco, Leandro Rezende, Toledo, Kalil Cristhian Figueiredo, Matias, Tiago Araujo, Benavides, Paola Andrea, Cezar, Henrique Musseli, Araujo, C. Moyses, Coutinho, Kaline, Araki, Koiti
Published in Physical chemistry chemical physics : PCCP (04.05.2022)
Published in Physical chemistry chemical physics : PCCP (04.05.2022)
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Journal Article
Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides
Triana, C A, Araujo, C Moyses, Ahuja, R, Niklasson, G A, Edvinsson, T
Published in Scientific reports (17.05.2017)
Published in Scientific reports (17.05.2017)
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Journal Article