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Nyckelord

Experimentell:

• Organiska material för energiomvandling och lagring
• Röntgenspektroskopi (NEXAFS, Resonant Photoemission)
• Polymersolceller

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• Modellering i atomskala
• Elektronisk struktur med DFT och TD-DFT
• Kristallstruktur bestämning med hjälp av evolutionär algoritm

• FYGA25 Experimentell problemlösning och dataanalys (dataanalys delmoment & laborationer), 7,5 hp.��
• FYGB06 Modern experimentell fysik (Experimentellt projekt - Interferometri och FTIR), 7,5 hp.��
• FYGC09 Fasta tillståndets fysik (Räkneövning & laborationer), 7,5 hp.
• CBAD81 Funktionella Material, 7,5 hp. (2024)
• Examensarbeten i fysik och teknisk fysik.

1. Cassia Ferreira Coutinho Pereira, Bruno GAL Borges, Karlison RA Sousa, Soheila Holakoei, Lucimara S Roman, C Moyses Araujo, Marco Cremona, Marlus Koehler, Cleber FN Marchiori, Maria Luiza M Rocco, Inducing molecular orientation in solution-processed thin films of fluorene-bithiophene-based copolymer: thermal annealing vs. solvent additive, RSC Advances (2024), 14, 9051–9061, DOI: 10.1039/D3RA08066H.
2. Rian E. Aderne, Bruno G. A. L. Borges, Harold J. C. Avila, Fredrik von Kieseritzky, Jonas Hellberg, Marlus Koehler, Marco Cremona, Lucimara S. Roman, C. Moyses Araujo, Maria Luiza Rocco, Cleber F. N. Marchiori, On the energy gap determination of organic optoelectronic materials: the case of porphyrin derivatives, Mater. Adv (2022), 3, 1791—1803, DOI: 10.1039/D1MA00652E.
3. Ishita Jalan, Cleber FN Marchiori, Zewdneh Genene, André Johansson, C Moyses Araujo, Ergang Wang, Jan van Stam, Ellen Moons, Donor–acceptor polymer complex formation in solution confirmed by spectroscopy and atomic-scale modelling, Journal of Materials Chemistry C (2023), 11, 9316 – 9326, DOI: 10.1039/D1TC03853B.
4. Martin Axelsson, Cleber F. N. Marchiori, Ping Huang, C. Moyses Araujo, Haining Tian, Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production, Journal of the American Chemical Society (2022), 143, 21229 – 21233, DOI: 10.1021/jacs.1c10600.��
5. Lucas Scalon, Alfredo L. Neto, Luis O. Araujo, Soraia Zaioncz, João B. Floriano, Andreia G. Macedo, C. Moyses Araujo, Cleber F.N. Marchiori, Paula C. Rodrigues, Assessing the Donor–Acceptor Nature and the Electrochemical Stability of a Fluorene–Diketopyrrolopyrrole–Thiophene-Based Copolymer, ACS Appl. Polym. Mater. (2021), 3, 4223–4233, DOI: 10.1021/acsapm.1c00651.
6. Cleber F. N. Marchiori, Rodrigo P. Carvalho, Mahsa Ebadi, Daniel Brandell, and C. Moyses Araujo, Understanding the Electrochemical Stability Window of Polymer Electrolytes in Solid State Batteries from Atomic-scale Modeling: The Role of the Li ion salt, Chemistry of Materials (2020), 32, 7237 – 7246, DOI: 10.1021/acs.chemmater.0c01489.
7. Yunier Garcia-Basabe, Gregor Kladnik, Cleber F. N. Marchiori, Carlos E. V. de Moura, Luca Floreano, Alexandre B. Rocha, Lucimara S. Roman, Alberto Morgante, Dean Cvetko, Maria Luiza M. Rocco. Additive Driven Increase in Donor-Acceptor Copolymer Coupling Studied by X-ray Resonant Photoemission. The Journal of Physical Chemistry C (2017), 121, 25187, DOI: 10.1021/acs.jpcc.7b08123.
8. Pascal Acker, Luisa Rzesny, Cleber F. N. Marchiori, C. Moyses Araujo and Birgit Esser, π-Conjugation Enables Ultra‐High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode‐Active Battery Materials, Advanced Functional Materials (2019), 29, 1906436, DOI: 10.1002/adfm.201906436.
9. Mahsa Ebadi, Cleber F. N. Marchiori, Jonas Mindemark, Daniel Brandell and C. Moyses Araujo, Assessing Structure and Stability of Polymer/Lithium-Metal Interfaces from First-Principles Calculations, Journal of Materials Chemistry A (2019), 7, 8394, DOI: 10.1039/C8TA12147H.

10. Cleber F. N. Marchiori, Daniel Brandell, C. Moyses Araujo, Predicting Structure and Electrochemistry of Dilithium Thiophene-2, 5-Dicarboxylate Electrodes by Density Functional Theory and Evolutionary Algorithms, The Journal of Physical Chemistry C (2019), 123, 4691, DOI: 10.1021/acs.jpcc.8b11341.

11. Mahsa Ebadi, Antoine Nasser, Marco Carboni, Reza Younesi, Cleber F. N. ��Marchiori, Daniel Brandell, C Moyses Araujo, Insights into the Li-Metal/Organic Carbonate Interfacial Chemistry by Combined First-Principles Theory and X-ray Photoelectron Spectroscopy, The Journal of Physical Chemistry C (2018), 123, 347, DOI: 10.1021/acs.jpcc.8b07679, 2018.

12. Giane Damas,��Cleber F. N. Marchiori, C. Moyses Araujo, On the Design of Donor-Acceptor Conjugated Polymers for Photocatalytic Hydrogen Evolution Reaction: First-Principles Theory Based Assessment, The Journal of Physical Chemistry C (2018), 122, 26876, DOI: 10.1021/acs.jpcc.8b09408, 2018.

13. Y. Garcia-Basabe, Cleber F. N. Marchiori, B. G. A. L. Borges, N. A. D. Yamamoto, A. G. Macedo, M. Koehler, L. S. Roman, M. L. M. Rocco: Electronic structure, molecular orientation, charge transfer dynamics and solar cells performance in donor/acceptor copolymers and fullerene: Experimental and theoretical approaches. Journal of Applied Physics (2014), 115, 134901, DOI:10.1063/1.4870470.

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