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Cleber Marchiori
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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
1172010
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
1122020
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
962019
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
852019
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
472014
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
462018
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
462014
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
422011
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
382020
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
332014
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
312019
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
302011
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
282022
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
282021
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
272022
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
272020
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
252022
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
232017
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
212019
Tuning the electrochemical properties of organic battery cathode materials: insights from evolutionary algorithm DFT calculations
RP Carvalho, CFN Marchiori, D Brandell, CM Araujo
ChemSusChem 13 (9), 2402-2409, 2020
182020
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