Zobrazeno 1 - 10
of 63
pro vyhledávání: '"Roberta, Poloni"'
Autor:
Jérôme Carnis, Aseem Rajan Kshirsagar, Longfei Wu, Maxime Dupraz, Stéphane Labat, Michaël Texier, Luc Favre, Lu Gao, Freddy E. Oropeza, Nimrod Gazit, Ehud Almog, Andrea Campos, Jean-Sébastien Micha, Emiel J. M. Hensen, Steven J. Leake, Tobias U. Schülli, Eugen Rabkin, Olivier Thomas, Roberta Poloni, Jan P. Hofmann, Marie-Ingrid Richard
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-10 (2021)
At the nanoscale, elastic strain and crystal defects largely influence the properties and functionalities of materials. Here, the authors report an unusual twin boundary migration process in a single platinum nanoparticle during carbon monoxide oxida
Externí odkaz:
https://doaj.org/article/b6237b171e9d41d7a4f095cf50460597
Autor:
Aysegul Develioglu, Esther Resines‐Urien, Roberta Poloni, Lucía Martín‐Pérez, Jose Sanchez Costa, Enrique Burzurí
Publikováno v:
Advanced Science, Vol 8, Iss 22, Pp n/a-n/a (2021)
Abstract Nonporous coordination polymers (npCPs) able to accommodate molecules through internal lattice reorganization are uncommon materials with applications in sensing and selective gas adsorption. Proton conduction, extensively studied in the ana
Externí odkaz:
https://doaj.org/article/f43bcafbda3f471186b2695768ae214c
Autor:
Aseem Rajan Kshirsagar, Roberta Poloni
Publikováno v:
The Journal of Physical Chemistry A. 127:2618-2627
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afb121300b6342e6febfe240e5ecbadf
https://doi.org/10.1021/acs.jpca.2c07526
https://doi.org/10.1021/acs.jpca.2c07526
Autor:
Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, Stephane Rols, José Antonio Real, Jose Sanchez Costa, Roberta Poloni, J. Alberto Rodríguez-Velamazán
Publikováno v:
Physical Chemistry Chemical Physics. 25:11338-11349
We study the binding mechanism of CO and CO2 in the porous spin-crossover compound Fe(pz)[Pt(CN)4] by combining neutron diffraction (ND), inelastic neutron scattering (INS) and density–functional theory (DFT) calculations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8affd04ad195e513a9a4ad0d724bb3f0
https://doi.org/10.1039/d3cp00670k
https://doi.org/10.1039/d3cp00670k
The development of strategies to efficiently capture and release gas is one of the most urgent topics in modern applied chemistry. In this respect, the modulation of the affinity for the gas molecule upon application of an external stimulus appears a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d4b22a91128dfd83429f97417e845aff
https://doi.org/10.26434/chemrxiv-2022-7z5r5-v2
https://doi.org/10.26434/chemrxiv-2022-7z5r5-v2
Autor:
Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, Stephane Rols, José Antonio Real, J. Alberto Rodríguez-Velamazán, Roberta Poloni
Publikováno v:
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
instname
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1672ef0529730b5e80baf42425f68bf1
https://doi.org/10.1021/acs.jpcc.2c01030
https://doi.org/10.1021/acs.jpcc.2c01030
The development of strategies to efficiently capture and release gas is one of the most studied topics in modern applied chemistry. In this respect, the modulation of the affinity for the gas molecule upon application of an external stimulus appears
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::74b2518b245da5a3fa28083f69d83308
https://doi.org/10.26434/chemrxiv-2022-7z5r5
https://doi.org/10.26434/chemrxiv-2022-7z5r5
Autor:
Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, José Antonio Real, José Sanchez Costa, Roberta Poloni, Alberto Rodriguez Velamazan
We study the binding mechanism of CO and CO2 in the porous spin-crossover compound Fe(pz)[Pt(CN)4] by combining neutron diffraction (ND), inelastic neutron scattering (INS) and density-functional theory (DFT) calculations. Two adsorption sites are id
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96bb9dc422b76b33b11f17ee08a888eb
https://doi.org/10.26434/chemrxiv-2022-bpfzl
https://doi.org/10.26434/chemrxiv-2022-bpfzl
Autor:
Aseem Rajan Kshirsagar, Roberta Poloni
We adopt the GW many-body perturbation theory in conjunction with the Bethe-Salpeter equation (BSE) to compute 57 excitation energies of a set of 37 molecules in order to shed light on the dependence on the initial Kohn-Sham (KS) density functional.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef1b31dc656efa12332c46d757e66952
https://doi.org/10.26434/chemrxiv-2022-18bff
https://doi.org/10.26434/chemrxiv-2022-18bff
Autor:
Angel Fernandez Blanco, Lorenzo A. Mariano, Lucia Piñeiro-López, Jose Antonio Real, Jose Sanchez Costa, Roberta Poloni, Jose Alberto Rodríguez-Velamazán
Despite the fact that Fe(pyrazine)[MII (CN)4] (where MII is a metal in open square-planar configuration, namely Pt, Pd, Ni) is one of the most thoroughly studied families of spin-crossover compounds, its actual structure has remained imprecisely know
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a7be119c0480614ca874b63b5113f73
https://doi.org/10.26434/chemrxiv-2022-qfvhx
https://doi.org/10.26434/chemrxiv-2022-qfvhx