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UAB Digital Repository of Documents 3 records found  Search took 0.01 seconds. 
1.
16 p, 928.1 KB Collective motion of Nafion-based micromotors in water / Fraxedas, Jordi (Institut Català de Nanociència i Nanotecnologia) ; Reguera, David (Universitat de Barcelona. Departament de Física de la Matèria Condensada) ; Esplandiu Egido, Maria José (Institut Català de Nanociència i Nanotecnologia)
Ion exchange is one of the most interesting processes occurring at the interface between aqueous solutions and polymers, such as the well-known Nafion. If the exchanged ions have different diffusion coefficients, this interchange generates local electric fields which can be harnessed to drive fluid motion. [...]
2024 - 10.1039/d3fd00098b
Faraday Discussions, Vol. 249 (January 2024) , p. 424-439  
Detailed record - Creative Commons
2.
15 p, 10.4 MB Successes and challenges in multiscale modelling of artificial metalloenzymes : the case study of POP-Rh2 cyclopropanase / Sánchez-Aparicio, José-Emilio (Universitat Autònoma de Barcelona. Departament de Química) ; Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Mates-Torres, Eric (Universitat Autònoma de Barcelona. Departament de Química) ; Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química)
Molecular modelling applications in metalloenzyme design are still scarce due to a series of challenges. On top of that, the simulations of metal-mediated binding and the identification of catalytic competent geometries require both large conformational exploration and simulation of fine electronic properties. [...]
2022 - 10.1039/D1FD00069A
Faraday Discussions, Vol. 234 (May 2022) , p. 349-366  
Detailed record -
3.
18 p, 2.1 MB Stoichiometry modulates the optoelectronic functionality of zinc phosphide (Zn3−xP2+x) / Stutz, Elias Z. (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Ramanandan, Santhanu P. (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Flór, Mischa (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Paul, Rajrupa (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Zamani, Mahdi (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Escobar Steinvall, Simon (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Sandoval Salaiza, Diego Armando (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Xifra Montesinos, Clàudia (Institut Català de Nanociència i Nanotecnologia) ; Spadaro, Maria Chiara (Institut Català de Nanociència i Nanotecnologia) ; Leran, Jean-Baptiste (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials) ; Litvinchuk, Alexander P. (University of Houston. Department of Physics) ; Arbiol i Cobos, Jordi (Institut Català de Nanociència i Nanotecnologia) ; Fontcuberta i Morral, Anna (École Polytechnique Fédérale de Lausanne. Institute of Physics) ; Dimitrievska, Mirjana (Ecole Polytechnique Fédérale de Lausanne. Laboratory of Semiconductor Materials)
Predictive synthesis-structure-property relationships are at the core of materials design for novel applications. In this regard, correlations between the compositional stoichiometry variations and functional properties are essential for enhancing the performance of devices based on these materials. [...]
2022 - 10.1039/d2fd00055e
Faraday Discussions, Vol. 239 (Oct. 2022) , p. 202-218  
Detailed record - Creative Commons

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