| Understanding the Electrochemical Stability Window of Polymer Electrolytes in Solid State Batteries from Atomic-scale Modeling: The Role of the Li ion salt CFN Marchiori, RP Carvalho, M Ebadi, D Brandell, CM Araujo Chemistry of Materials, 2020 | 123 | 2020 |
| Dipole assisted exciton dissociation at conjugated polymer/fullerene photovoltaic interfaces: A molecular study using density functional theory calculations CFN Marchiori, M Koehler Synthetic Metals 160 (7-8), 643-650, 2010 | 117 | 2010 |
| π‐Conjugation enables ultra‐high rate capabilities and cycling stabilities in phenothiazine copolymers as cathode‐active battery materials P Acker, L Rzesny, CFN Marchiori, CM Araujo, B Esser Advanced Functional Materials 29 (45), 1906436, 2019 | 100 | 2019 |
| Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations M Ebadi, C Marchiori, J Mindemark, D Brandell, CM Araujo Journal of materials chemistry A 7 (14), 8394-8404, 2019 | 92 | 2019 |
| Electronic structure, molecular orientation, charge transfer dynamics and solar cells performance in donor/acceptor copolymers and fullerene: Experimental and theoretical … Y Garcia-Basabe, CFN Marchiori, B Borges, NAD Yamamoto, AG Macedo, ... Journal of Applied Physics 115 (13), 2014 | 48 | 2014 |
| On the design of donor–acceptor conjugated polymers for photocatalytic hydrogen evolution reaction: first-principles theory-based assessment G Damas, CFN Marchiori, CM Araujo The Journal of Physical Chemistry C 122 (47), 26876-26888, 2018 | 46 | 2018 |
| Density functional theory study of the dipole across the P3HT: PCBM complex: the role of polarization and charge transfer CFN Marchiori, M Koehler Journal of Physics D: Applied Physics 47 (21), 215104, 2014 | 46 | 2014 |
| The role of the double peaked absorption spectrum in the efficiency of solar cells based on donor–acceptor–donor copolymers CD Canestraro, PC Rodrigues, CFN Marchiori, CB Schneider, L Akcelrud, ... Solar energy materials and solar cells 95 (8), 2287-2294, 2011 | 42 | 2011 |
| Comparing C60 and C70 as acceptor in organic solar cells: Influence of the electronic structure and aggregation size on the photovoltaic characteristics L Benatto, CFN Marchiori, T Talka, M Aramini, NAD Yamamoto, S Huotari, ... Thin Solid Films 697, 137827, 2020 | 41 | 2020 |
| Charge transfer dynamics and molecular orientation probed by core electron spectroscopies on thermal-annealed polysilafluorene derivative: experimental and theoretical approaches Y Garcia-Basabe, CFN Marchiori, CEV de Moura, AB Rocha, LS Roman, ... The Journal of Physical Chemistry C 118 (41), 23863-23873, 2014 | 34 | 2014 |
| Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes RP Carvalho, CFN Marchiori, D Brandell, CM Araujo Energy storage materials 44, 313-325, 2022 | 32 | 2022 |
| Small organic molecule based on benzothiadiazole for electrocatalytic hydrogen production M Axelsson, CFN Marchiori, P Huang, CM Araujo, H Tian Journal of the American Chemical Society 143 (50), 21229-21233, 2021 | 32 | 2021 |
| Molecular origin of efficient hole transfer from non-fullerene acceptors: insights from first-principles calculations L Benatto, CFN Marchiori, CM Araujo, M Koehler Journal of Materials Chemistry C 7 (39), 12180-12193, 2019 | 31 | 2019 |
| Thermoplastic polyurethane–Ti3C2 (Tx) MXene nanocomposite: The influence of functional groups upon the matrix–reinforcement interaction RM Ronchi, CFN Marchiori, CM Araujo, JT Arantes, SF Santos Applied Surface Science 528, 146526, 2020 | 30 | 2020 |
| Hole mobility effect in the efficiency of bilayer heterojunction polymer/C60 photovoltaic cells AG Macedo, CFN Marchiori, IR Grova, L Akcelrud, M Koehler, LS Roman Applied Physics Letters 98 (25), 2011 | 30 | 2011 |
| Effects of flexible conjugation-break spacers of non-conjugated polymer acceptors on photovoltaic and mechanical properties of all-polymer solar cells Q Chen, YH Han, LR Franco, CFN Marchiori, Z Genene, CM Araujo, ... Nano-Micro Letters 14 (1), 164, 2022 | 29 | 2022 |
| On the energy gap determination of organic optoelectronic materials: the case of porphyrin derivatives RE Aderne, BGAL Borges, HC Ávila, F von Kieseritzky, J Hellberg, ... Materials Advances 3 (3), 1791-1803, 2022 | 28 | 2022 |
| On the Conformation of Dimeric Acceptors and Their Polymer Solar Cells with Efficiency over 18% J Wu, Z Ling, LR Franco, SY Jeong, Z Genene, J Mena, S Chen, C Chen, ... Angewandte Chemie International Edition 62 (45), e202302888, 2023 | 23 | 2023 |
| Conformational change on a bithiophene-based copolymer induced by additive treatment: application in organic photovoltaics OD Lourenco Jr, L Benatto, CFN Marchiori, HC Avila, NAD Yamamoto, ... The Journal of Physical Chemistry C 121 (29), 16035-16044, 2017 | 23 | 2017 |
| Tailoring the electron-rich moiety in benzothiadiazole-based polymers for an efficient photocatalytic hydrogen evolution reaction GB Damas, CFN Marchiori, CM Araujo The Journal of Physical Chemistry C 123 (42), 25531-25542, 2019 | 21 | 2019 |
C. Moyses AraujoAssociate Professor at Karlstad University在 kau.se 的电子邮件经过验证
