Search Results - "Araujo, C Moyses"

Restricted Ion Transport by Plasticizing Side Chains in Polycarbonate-Based Solid Electrolytes by Ebadi, Mahsa, Eriksson, Therese, Mandal, Prithwiraj, Costa, Luciano T, Araujo, C. Moyses, Mindemark, Jonas, Brandell, Daniel

“…Increasing the ionic conductivity has for decades been an overriding goal in the development of solid polymer electrolytes. According to fundamental theories…”
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Small Organic Molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production by Axelsson, Martin, Marchiori, Cleber F. N, Huang, Ping, Araujo, C. Moyses, Tian, Haining

“…A small organic molecule 2,1,3-benzothiadiazole-4, 7-dicarbonitrile (BTDN) is assessed for electrocatalytic hydrogen evolution on glassy carbon electrode and…”
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On the Conformation of Dimeric Acceptors and Their Polymer Solar Cells with Efficiency over 18 by Wu, Jingnan, Ling, Zhaoheng, Franco, Leandro R, Jeong, Sang Young, Genene, Zewdneh, Mena, Josué, Chen, Si, Chen, Cailing, Araujo, C Moyses, Marchiori, Cleber F N, Kimpel, Joost, Chang, Xiaoming, Isikgor, Furkan H, Chen, Qiaonan, Faber, Hendrik, Han, Yu, Laquai, Frédéric, Zhang, Maojie, Woo, Han Young, Yu, Donghong, Anthopoulos, Thomas D, Wang, Ergang

“…The determination of molecular conformations of oligomeric acceptors (OAs) and their impact on molecular packing are crucial for understanding the photovoltaic…”
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Spectroscopic Fingerprints of Intermolecular H‐Bonding Interactions in Carbon Nitride Model Compounds by 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

“…The effect of intermolecular H‐bonding interactions on the local electronic structure of N‐containing functional groups (amino group and pyridine‐like N) that…”
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Tuning the Electrochemical Properties of Organic Battery Cathode Materials: Insights from Evolutionary Algorithm DFT Calculations by Carvalho, Rodrigo P., Marchiori, Cleber F. N., Brandell, Daniel, Araujo, C. Moyses

“…Several forms of organic materials have arisen as promising candidates for future active electrode materials for Li‐ion and post‐Li‐ion batteries, owing to a…”
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Functional Role of Pyridinium during Aqueous Electrochemical Reduction of CO2 on Pt(111) by Ertem, Mehmed Z, Konezny, Steven J, Araujo, C. Moyses, Batista, Victor S

“…Recent breakthroughs in electrochemical studies have reported aqueous CO2 reduction to formic acid, formaldehyde, and methanol at low overpotentials (−0.58 V…”
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Exploring Metastable Phases During Lithiation of Organic Battery Electrode Materials by Carvalho, Rodrigo P., Alhanash, Mirna, Marchiori, Cleber F. N., Brandell, Daniel, Araujo, C. Moyses

“…In this work, the Li‐ion insertion mechanism in organic electrode materials is investigated through the lens of atomic‐scale models based on first‐principles…”
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Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides by Triana, C. A., Araujo, C. Moyses, Ahuja, R., Niklasson, G. A., Edvinsson, T.

“…Solid state materials with crystalline order have been well-known and characterized for almost a century while the description of disordered materials still…”
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Effects of Flexible Conjugation-Break Spacers of Non-Conjugated Polymer Acceptors on Photovoltaic and Mechanical Properties of All-Polymer Solar Cells by Chen, Qiaonan, Han, Yung Hee, Franco, Leandro R., Marchiori, Cleber F. N., Genene, Zewdneh, Araujo, C. Moyses, Lee, Jin-Woo, Phan, Tan Ngoc-Lan, Wu, Jingnan, Yu, Donghong, Kim, Dong Jun, Kim, Taek-Soo, Hou, Lintao, Kim, Bumjoon J., Wang, Ergang

“…Highlights A series of non-conjugated acceptor polymers with flexible conjugation-break spacers (FCBSs) of different lengths were synthesized. The effect of…”
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Inducing molecular orientation in solution-processed thin films of fluorene-bithiophene-based copolymer: thermal annealing vs. solvent additive by Coutinho Pereira, Cassia Ferreira, Borges, Bruno G A L, Sousa, Karlison R A, Holakoei, Soheila, Roman, Lucimara S, Araujo, C Moyses, Cremona, Marco, Koehler, Marlus, Marchiori, Cleber F N, Rocco, Maria Luiza M

“…A deep understanding of the factors influencing the morphology of thin films based on conjugated polymers is essential to boost their performance in…”
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Unveiling the Influence of Linkers on Conformations of Oligomeric Acceptors for High‐Performance Polymer Solar Cells by Wu, Jingnan, Sun, Fengbo, Wang, Xunchang, Chen, Qiaonan, Franco, Leandro R., Zheng, Xufan, Araujo, C. Moyses, Yang, Renqiang, Yu, Donghong, Wang, Ergang

“…Conformational isomerism of organic photovoltaic materials has a profound impact on their molecular packing and therefore performance of polymer solar cells…”
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Unveiling the complex electronic structure of amorphous metal oxides by Århammar, C, Pietzsch, Annette, Bock, Nicolas, Holmström, Erik, Araujo, C. Moyses, Gråsjö, Johan, Zhao, Shuxi, Green, Sara, Peery, T, Hennies, Franz, Amerioun, Shahrad, Föhlisch, Alexander, Schlappa, Justine, Schmitt, Thorsten, Strocov, Vladimir N, Niklasson, Gunnar A, Wallace, Duane C, Rubensson, Jan-Erik, Johansson, Börje, Ahuja, Rajeev

“…Amorphous materials represent a large and important emerging area of material's science. Amorphous oxides are key technological oxides in applications such as…”
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On the Mechanism of Carbon Dioxide Reduction on Sn-Based Electrodes: Insights into the Role of Oxide Surfaces by Giane B. Damas, Caetano R. Miranda, Ricardo Sgarbi, James M. Portela, Mariana R. Camilo, Fabio H. B. Lima, C. Moyses Araujo

“…The electrochemical reduction of carbon dioxide into carbon monoxide, hydrocarbons and formic acid has offered an interesting alternative for a sustainable…”
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Initial Steps in PEO Decomposition on a Li Metal Electrode by Mirsakiyeva, Amina, Ebadi, Mahsa, Araujo, C. Moyses, Brandell, Daniel, Broqvist, Peter, Kullgren, Jolla

“…Poly­(ethylene oxide) (PEO) is the most widely used compound as a solid-state (solvent-free) polymer electrolyte for Li batteries, mainly due to its low glass…”
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π‐Conjugation Enables Ultra‐High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode‐Active Battery Materials by Acker, Pascal, Rzesny, Luisa, Marchiori, Cleber F. N., Araujo, C. Moyses, Esser, Birgit

“…In recent years, organic battery cathode materials have emerged as an attractive alternative to metal oxide–based cathodes. Organic redox polymers that can be…”
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Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects by Panigrahi, Puspamitra, Araujo, C Moyses, Hussen, Tanveer, Ahuja, Rajeev

“…We have employed first-principles calculations based on density functional theory (DFT) to investigate the underlying physics of unusual magnetism in Mn-doped…”
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Modelling the Polymer Electrolyte/Li-Metal Interface by Molecular Dynamics simulations by Ebadi, Mahsa, Costa, Luciano T., Araujo, C. Moyses, Brandell, Daniel

“…[Display omitted] Solid polymer electrolytes are considered promising candidates for application in Li-metal batteries due to their comparatively high…”
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Structural, electronic and energetic properties of water adsorbed on β-Si3N4 (0 0 0 1 ) surface: First-principles calculations by NISAR, J, MOYSES ARAUJO, C, AHUJA, R

“…Structural, energetic and electronic properties of water molecules adsorbed on beta-Si3N4 (0 00 1) surface, at various coverages, are investigated using…”
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Superlithiation of Organic Electrode Materials: The Case of Dilithium Benzenedipropiolate by Renault, Stéven, Oltean, Viorica Alina, Araujo, C. Moyses, Grigoriev, Anton, Edström, Kristina, Brandell, Daniel

“…Dilithium benzenedipropiolate was prepared and investigated as a potential negative electrode material for secondary lithium-ion batteries. In addition to the…”
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Defect-induced strong ferromagnetism in Cr-doped In2O3 from first-principles theory by HUANG, L. M, SILVEARV, Fredrik, MOYSES ARAUJO, C, AHUJA, R

“…We demonstrate by means of first-principles calculations that the high Curie temperature observed in Cr-doped In2O3 is mediated by intrinsic p-type defects,…”
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