2024-07-30
10:34 |
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7 p, 229.1 KB |
TDEP : Temperature Dependent Effective Potentials
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Knoop, Florian (Linköping University) ;
Shulumba, Nina (Linköping University) ;
Castellano, Aloïs (Université de Liège) ;
Alvarinhas Batista, J.P. (Université de Liège) ;
Farris, Roberta (Institut Català de Nanociència i Nanotecnologia) ;
Verstraete, Matthieu J. (Université de Liège) ;
Heine, Matthew (Boston College. Department of Physics) ;
Broido, David (Boston College. Department of Physics) ;
Kim, Dennis S. (University of California, Los Angeles) ;
Klarbring, Johan (Linköping University) ;
Abrikosov, Igor A. (Linköping University) ;
Simak, Sergei I. (Linköping University) ;
Hellman, Olle (Weizmann Institute of Science)
The Temperature Dependent Effective Potential (TDEP) method is a versatile and efficient approach to include temperature in ab initio materials simulations based on phonon theory. TDEP can be used to describe thermodynamic properties in classical and quantum ensembles, and several response properties ranging from thermal transport to Neutron and Raman spectroscopy. [...]
2024 -  10.21105/joss.06150
The Journal of Open Source Software, Vol. 9, Núm. 94 (February 2024) , art. 6150
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2024-07-10
13:09 |
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9 p, 3.4 MB |
Stoichiometric control of electron mobility and 2D superconductivity at LaAlO3-SrTiO3 interfaces
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Singh, Gyanendra (Institut de Ciència de Materials de Barcelona) ;
Guzmán Aluja, Roger (University of Chinese Academy of Sciences) ;
Saïz, Guilhem (Sorbonne Université) ;
Zhou, Wu (University of Chinese Academy of Sciences) ;
Gazquez, Jaume (Institut de Ciència de Materials de Barcelona) ;
Masoudinia, Fereshteh (Institut de Ciència de Materials de Barcelona) ;
Winkler, Dag (Chalmers University of Technology. Department of Microtechnology and Nanoscience) ;
Claeson, Tord (Chalmers University of Technology. Department of Microtechnology and Nanoscience) ;
Fraxedas, Jordi (Institut Català de Nanociència i Nanotecnologia) ;
Bergeal, Nicolas (Sorbonne Université) ;
Herranz Casabona, Gervasi (Institut de Ciència de Materials de Barcelona) ;
Kalaboukhov, Alexei (Chalmers University of Technology. Department of Microtechnology and Nanoscience)
SrTiO-based conducting interfaces, which exhibit coexistence of gate-tunable 2D superconductivity and strong Rashba spin-orbit coupling (RSOC), are candidates to host topological superconductive phases. [...]
2024 - 10.1038/s42005-024-01644-3
Communications Physics, Vol. 7 (May 2024) , art. 149
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2024-07-08
13:35 |
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46 p, 1.8 MB |
Bist Sustainability Handbook
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Faure, André J. (Centre de Regulació Genòmica) ;
Blanch, Xavier (Institut Català d'Investigació Química) ;
Pérez, José (Institut Català de Nanociència i Nanotecnologia) ;
Duran Balada, Marta (Institut Català de Nanociència i Nanotecnologia) ;
Vilches, Anna (Institut de Recerca Biomèdica) ;
Vilches, Clara (Institut de Ciències Fotòniques) ;
Oliveira, Isabel (Institut de Bioenginyeria de Catalunya) ;
Sanchis, Teresa (Institut de Bioenginyeria de Catalunya) ;
Acín, Vanessa (Institut de Física d'Altes Energies) ;
González, Àlex (Barcelona Institute of Science and Technology (BIST)) ;
Juanet, Marina, il.
The BIST Sustainability Handbook serves as a practical resource for embracing sustainable practices in the BIST Community research centres daily operations, and, potentially, beyond.
BIST Communications Commission, 2023
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2024-07-04
11:15 |
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10 p, 5.1 MB |
Switchable tribology of ferroelectrics
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Cho, Seongwoo (University of Geneva. Department of Quantum Matter Physics) ;
Gaponenko, Iaroslav (University of Geneva. Department of Quantum Matter Physics) ;
Cordero-Edwards, Kumar (University of Geneva. Department of Quantum Matter Physics) ;
Barceló-Mercader, Jordi (Universitat Politècnica de Catalunya) ;
Arias, Irene (International Centre for Numerical Methods in Engineering) ;
Kim, Daeho (Korea Advanced Institute of Science and Technology) ;
Lichtensteiger, Céline (University of Geneva. Department of Quantum Matter Physics) ;
Yeom, Jiwon (Korea Advanced Institute of Science and Technology) ;
Musy, Loïc (University of Geneva. Department of Quantum Matter Physics) ;
Kim, Hyunji (Korea Advanced Institute of Science and Technology) ;
Han, Seung Min (Korea Advanced Institute of Science and Technology) ;
Catalan, Gustau (Institut Català de Nanociència i Nanotecnologia) ;
Paruch, Patrycja (University of Geneva. Department of Quantum Matter Physics) ;
Hong, Seungbum (Korea Advanced Institute of Science and Technology)
Switchable tribological properties of ferroelectrics offer an alternative route to visualize and control ferroelectric domains. Here, we observe the switchable friction and wear behavior of ferroelectrics using a nanoscale scanning probe-down domains have lower friction coefficients and show slower wear rates than up domains and can be used as smart masks. [...]
2024 - 10.1038/s41467-023-44346-0
Nature communications, Vol. 15 (January 2024) , art. 387
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2024-07-04
11:15 |
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16 p, 4.4 MB |
Spatiotemporal Microscopy : Shining Light on Transport Phenomena
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Vazquez, Guillermo D. Brinatti (Institut de Ciències Fotòniques) ;
Morganti, Giulia Lo Gerfo (Institut de Ciències Fotòniques) ;
Block, Alexander (Institut Català de Nanociència i Nanotecnologia) ;
van Hulst, Niek F. (Institució Catalana de Recerca i Estudis Avançats) ;
Liebel, Matz (Vrije Universiteit Amsterdam) ;
Tielrooij, Klaas-Jan (Institut Català de Nanociència i Nanotecnologia)
Transport phenomena like diffusion, convection, and drift play key roles in the sciences and engineering disciplines. They belong to the most omnipresent and important phenomena in nature that describe the motion of entities such as mass, charge or heat. [...]
2024 - 10.1002/aelm.202300584
Advanced Electronic Materials, Vol. 10, Issue 2 (February 2024) , art. 2300584
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2024-07-04
11:15 |
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12 p, 3.2 MB |
Tailoring the facet distribution on copper with chloride
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Mazaira, Pedro (University of Copenhagen. Department of Chemistry) ;
Madsen, Thor Kongstad (University of Copenhagen. Department of Chemistry) ;
Plaza-Mayoral, Elena (University of Copenhagen. Department of Chemistry) ;
Kristoffersen, Henrik H. (University of Copenhagen. Department of Chemistry) ;
Chorkendorff, Ib (University of Denmark. Department of Physics) ;
Dalby, Kim Nicole (Topsoe A/S) ;
van der Stam, War (Utrecht University. Inorganic Chemistry and Catalysis) ;
Rossmeisl, Jan (University of Copenhagen. Department of Chemistry) ;
Escudero-Escribano, María (Institut Català de Nanociència i Nanotecnologia) ;
Sebastián-Pascual, Paula (University of Copenhagen. Department of Chemistry)
Electrocatalytic reactions are sensitive to the catalyst surface structure. Therefore, finding methods to determine active surface sites with different geometry is essential to address the structure-electrocatalytic performance relationships. [...]
2023 - 10.1039/d3sc05988j
Chemical science, Vol. 15, Issue 5 (February 2023) , p. 1714-1725
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2024-06-23
08:27 |
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9 p, 6.0 MB |
Regioswitchable Bingel Bis-Functionalization of Fullerene C70 via Supramolecular Masks
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Iannace, Valentina (Universitat de Girona. Departament de Química) ;
Sabrià, Clar (Universitat de Girona. Departament de Química) ;
Xu, Youzhi (University of Ulm) ;
Von Delius, Max (University of Ulm) ;
Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ;
Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia) ;
Feixas, Ferran (Universitat de Girona. Departament de Química) ;
Ribas, Xavi (Universitat de Girona. Departament de Química)
Isomer-pure functionalized fullerenes are required to boost the development of fullerene chemistry in any field, but their multiple functionalization renders a mixture of regioisomers that are very difficult to purify by chromatography. [...]
2024 - 10.1021/jacs.3c10808
Journal of the American Chemical Society, Vol. 146, Issue 8 (February 2024) , p. 5186-5194
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2024-06-23
08:27 |
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8 p, 1.9 MB |
Slot-die coating of electron transport layers for perovskite solar cells using water and butanol-based tin oxide dispersions
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Vijayan, Anuja (Uppsala University. Department of Chemistry) ;
Vijayakumar, Vishnu (Uppsala University. Department of Chemistry) ;
Johansson, Malin B. (Uppsala University. Department of Chemistry) ;
Karimipour, M. (Institut Català de Nanociència i Nanotecnologia) ;
Lira-Cantu, Monica (Institut Català de Nanociència i Nanotecnologia) ;
Kim, Byeong Jo (Uppsala University. Department of Chemistry) ;
Boschloo, Gerrit (Uppsala University. Department of Chemistry)
Lead halide perovskite photovoltaics have shown an impressive efficiency increase over the past decade. Making this technology industrially viable requires precise optimization of every single deposition step. [...]
2024 - 10.1039/d4ma00351a
Materials Advances, Vol. 5, Issue 10 (May 2024) , p. 4430-4437
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2024-06-23
08:27 |
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9 p, 1.4 MB |
Rationalizing the carborane versus phenyl-driven luminescence in related dicarboxylic ligands and their antenna effect for their Eu3+ and Tb3+ metal-organic frameworks : a combined experimental and computational study
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Li, Zhen (Institut de Ciència de Materials de Barcelona) ;
Roscini, Claudio (Institut Català de Nanociència i Nanotecnologia) ;
Núñez, Rosario (Institut de Ciència de Materials de Barcelona) ;
Teixidor, Francesc (Institut de Ciència de Materials de Barcelona) ;
Viñas, Clara (Institut de Ciència de Materials de Barcelona) ;
Ruiz, Eliseo (Universitat de Barcelona. Departament de Química Inorgànica i Orgànica) ;
Giner Planas, José (Institut de Ciència de Materials de Barcelona)
Replacement of a phenyl moiety by a carborane in 1,3-di(4-carboxyphenyl) derivatives has a pronounced effect on the photophysical properties of the compounds themselves and their corresponding Eu and Tb metal organic frameworks. [...]
2024 - 10.1039/d3tc04018f
Journal of Materials Chemistry C, Vol. 12, Issue 6 (February 2024) , p. 2101-2109
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2024-06-23
08:27 |
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11 p, 1.5 MB |
Preparation of Tunable Cu−Ag Nanostructures by Electrodeposition in a Deep Eutectic Solvent
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Plaza-Mayoral, Elena (University of Copenhagen. Department of Chemistry) ;
Dalby, Kim Nicole (Topsoe A/S) ;
Falsig, Hanne (Topsoe A/S) ;
Chorkendorff, Ib (Technical University of Denmark. Department of Physics) ;
Sebastián-Pascual, Paula (University of Copenhagen. Department of Chemistry.) ;
Escudero-Escribano, María (Institut Català de Nanociència i Nanotecnologia)
The green transition requires new, clean, inexpensive, and sustainable strategies to prepare controllable bimetallic and multimetallic nanostructures. Cu−Ag nanostructures, for example, are promising bimetallic catalysts for different electrocatalytic reactions such as carbon monoxide and carbon dioxide reduction. [...]
2024 - 10.1002/celc.202400094
ChemElectroChem, Vol. 11, Issue 10 (May 2024) , art. e202400094
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