Search Results - "Moyses Araujo, Carlos"

Highly efficient and robust molecular ruthenium catalysts for water oxidation by Duan, Lele, Araujo, Carlos Moyses, Ahlquist, Mårten S.G, Sun, Licheng

“…Water oxidation catalysts are essential components of light-driven water splitting systems, which could convert water to H ₂ driven by solar radiation (H ₂O +…”
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Revealing the Contribution of Individual Factors to Hydrogen Evolution Reaction Catalytic Activity by Zhou, Yu, Silva, Jose Luis, Woods, John M., Pondick, Joshua V., Feng, Qingliang, Liang, Zhixiu, Liu, Wen, Lin, Li, Deng, Bingchen, Brena, Barbara, Xia, Fengnian, Peng, Hailin, Liu, Zhongfan, Wang, Hailiang, Araujo, Carlos Moyses, Cha, Judy J.

“…For the electrochemical hydrogen evolution reaction (HER), the electrical properties of catalysts can play an important role in influencing the overall…”
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Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS2/WTe2 Hybrid Structures by Zhou, Yu, Pondick, Joshua V., Silva, Jose Luis, Woods, John M., Hynek, David J., Matthews, Grace, Shen, Xin, Feng, Qingliang, Liu, Wen, Lu, Zhixing, Liang, Zhixiu, Brena, Barbara, Cai, Zhao, Wu, Min, Jiao, Liying, Hu, Shu, Wang, Hailiang, Araujo, Carlos Moyses, Cha, Judy J.

“…Using the MoS2‐WTe2 heterostructure as a model system combined with electrochemical microreactors and density function theory calculations, it is shown that…”
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Ab initio study of lithium-doped graphane for hydrogen storage by Hussain, Tanveer, Pathak, Biswarup, Adit Maark, Tuhina, Moyses Araujo, Carlos, Scheicher, Ralph H, Ahuja, Rajeev

“…Based on the first-principle density functional calculations we predict that Li-doped graphane (prehydrogenated graphene) can be a potential candidate for…”
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3D Lattice‐Matching Layered Hydroxide Heterostructure with Improved Interfacial Charge Transfer and Ion Diffusion for High Energy Density Supercapacitor by Liu, Huanji, Zhu, Juncheng, Tian, Dan, Carvalho, Rodrigo, Shi, Zhicheng, Cai, Zhao, Chang, Xinghua, Araujo, Carlos Moyses, Zhou, Yu, Zhu, Jiliang

“…The electrochemical charge storage mostly relies on the electrical properties of complex interfaces and electrode materials as well as the dynamic ions…”
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Semimetallic dense hydrogen above 260 GPa by Lebègue, Sébastien, Araujo, Carlos Moyses, Kim, Duck Young, Ramzan, Muhammad, Mao, Ho-kwang, Ahuja, Rajeev

“…Being the lightest and the most abundant element in the universe, hydrogen is fascinating to physicists. In particular, the conditions of its metallization…”
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Identifying Key Properties of Electrolytes for Light-Emitting Electrochemical Cells by Tang, Shi, Mindemark, Jonas, Araujo, Carlos Moyses Graca, Brandell, Daniel, Edman, Ludvig

“…The electrolyte is a key component in light-emitting electrochemical cells (LECs), as it facilitates in situ electrochemical doping and associated attractive…”
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Optical and electronic properties of nanosized BiTaO4 and BiNbO4 photocatalysts: Experiment and theory by Wang, Baochang, Nisar, Jawad, Almeida, Cristiane Gomes, Mascarenhas, Artur José Santos, Silva, Luciana Almeida, David, Denis Gilbert Francis, Bargiela, Pascal, Araujo, Carlos Moyses, Ahuja, Rajeev, Ferreira da Silva, Antonio

“…Nanosized BiTaO4 and BiNbO4 were prepared by the citrate method. The electronic and optical properties of BiTaO4 and BiNbO4 have been investigated by means of…”
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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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On the Design of Donor–Acceptor Conjugated Polymers for Photocatalytic Hydrogen Evolution Reaction: First-Principles Theory-Based Assessment by Damas, Giane, Marchiori, Cleber F. N, Araujo, C. Moyses

“…A set of fluorene-based polymers with a donor–acceptor architecture has been investigated as a potential candidate for photocatalytic hydrogen evolution…”
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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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Density Functional Theory Modeling the Interfacial Chemistry of the LiNO3 Additive for Lithium–Sulfur Batteries by Means of Simulated Photoelectron Spectroscopy by Ebadi, Mahsa, Lacey, Matthew J, Brandell, Daniel, Araujo, C. Moyses

“…Lithium–sulfur (Li–S) batteries are considered candidates for next-generation energy storage systems due to their high theoretical specific energy. There…”
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Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS 2 /WTe 2 Hybrid Structures by Zhou, Yu, Pondick, Joshua V, Silva, Jose Luis, Woods, John M, Hynek, David J, Matthews, Grace, Shen, Xin, Feng, Qingliang, Liu, Wen, Lu, Zhixing, Liang, Zhixiu, Brena, Barbara, Cai, Zhao, Wu, Min, Jiao, Liying, Hu, Shu, Wang, Hailiang, Araujo, Carlos Moyses, Cha, Judy J

“…Using the MoS -WTe heterostructure as a model system combined with electrochemical microreactors and density function theory calculations, it is shown that…”
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g-C 3 N 4 /WTe 2 Hybrid Electrocatalyst for Efficient Hydrogen Evolution Reaction by Silva, J. Luis, Brena, Barbara, Araujo, C. Moyses

“…Recent experiments have highlighted the efficiency of nonprecious metal-based hybrid structures, such as g-C 3 N 4 /MoS 2  and g-C 3 N 4 /graphene for hydrogen…”
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Predicting Structure and Electrochemistry of Dilithium Thiophene-2,5-Dicarboxylate Electrodes by Density Functional Theory and Evolutionary Algorithms by Marchiori, Cleber F. N, Brandell, Daniel, Araujo, C. Moyses

“…Organic electroactive materials are promising candidates to be used as lithium insertion electrodes in the next generation of environmentally friendly battery…”
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Band gap engineering by anion doping in the photocatalyst BiTaO4: First principle calculations by Nisar, Jawad, Wang, Baochang, Araujo, Carlos Moyses, Ferreira da Silva, Antonio, Kang, Tae Won, Ahuja, Rajeev

“…We have shown the effect of mono and co-doping of non-metallic anion atoms on the electronic structure in BiTaO4 using the first-principles method. It can…”
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Tailoring the Electron-Rich Moiety in Benzothiadiazole-Based Polymers for an Efficient Photocatalytic Hydrogen Evolution Reaction by Damas, Giane B, Marchiori, Cleber F. N, Araujo, C. Moyses

“…Polymeric materials containing an extended π-conjugated backbone have shown a wide range of applicability including photocatalytic activity for the hydrogen…”
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Symmetric Small-Molecules with Acceptor–Donor–Acceptor Architecture for Efficient Visible-Light Driven Hydrogen Production: Optical and Thermodynamic Aspects by Damas, Giane B, von Kieseritzky, Fredrik, Hellberg, Jonas, Marchiori, Cleber F. N, Araujo, C. Moyses

“…Small-molecules (SM) have attracted a great deal of attention in the field of solar energy conversion due to their unique properties compared to polymers, such…”
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Electronic transitions induced by short-range structural order in amorphous TiO2 by Triana, Carlos, Araujo, Moyses, Ahuja, Rajeev, Niklasson, Gunnar A., Edvinsson, Tomas

“…Several promising applications of amorphous titanium dioxide, aTiO2, have appeared recently, but thecorrelation between electronic properties and atomic…”
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