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R. Poloni · SciRah

Researcher profile · Semantic Scholar

R. Poloni

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R. Poloni — researcher profile on SciRah

h-index: 21
Works: 63
Citations: 2,884

Most-cited papers

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
T. M. McDonald, Jarad A. Mason, Xueqian Kong, Eric D. Bloch +22 more
2015Nature1,148 citations Open access
Semantic Scholar
Ab initio carbon capture in open-site metal-organic frameworks.
Allison L. Dzubak, Li-Chiang Lin, Jihan Kim, J. Swisher +4 more
2012Nature Chemistry327 citations Open access
Semantic Scholar
The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic framework.
Nora Planas, Allison L. Dzubak, R. Poloni, Li-Chiang Lin +6 more
2013Journal of the American Chemical Society230 citations Open access
Semantic Scholar
Understanding Trends in CO2 Adsorption in Metal-Organic Frameworks with Open-Metal Sites.
R. Poloni, Kyuho Lee, R. Berger, B. Smit +1 more
2014Journal of Physical Chemistry Letters150 citations Open access
Semantic Scholar
CO2 capture by metal-organic frameworks with van der Waals density functionals.
R. Poloni, B. Smit, J. Neaton
2012Journal of Physical Chemistry A102 citations Open access
Semantic Scholar
Ligand-assisted enhancement of CO2 capture in metal-organic frameworks.
R. Poloni, B. Smit, J. Neaton
2012Journal of the American Chemical Society94 citations Open access
Semantic Scholar
Structure of eutectic Fe–FeS melts to pressures up to 17 GPa: Implications for planetary cores
G. Morard, C. Sanloup, G. Fiquet, M. Mezouar +3 more
200789 citations
Semantic Scholar
Probing adsorption interactions in metal-organic frameworks using X-ray spectroscopy.
W. Drisdell, R. Poloni, T. M. McDonald, J. Long +4 more
2013Journal of the American Chemical Society63 citations Open access
Semantic Scholar
In operando evidence of deoxygenation in ionic liquid gating of YBa2Cu3O7-X
A. Pérez-Muñoz, P. Schio, R. Poloni, A. Fernández-Martínez +9 more
2016Proceedings of the National Academy of Sciences of the United States of America57 citations Open access
Semantic Scholar
Optimization of Paris–Edinburgh press cell assemblies for in situ monochromatic X-ray diffraction and X-ray absorption
G. Morard, M. Mezouar, N. Rey, R. Poloni +7 more
200750 citations
Semantic Scholar
Divergent Adsorption-Dependent Luminescence of Amino-Functionalized Lanthanide Metal-Organic Frameworks for Highly Sensitive NO2 Sensors.
Arturo Gamonal, Chen Sun, A. L. Mariano, Estefania Fernandez-Bartolome +8 more
2020Journal of Physical Chemistry Letters47 citations Open access
Semantic Scholar
Role of Impurities in the Kinetic Persistence of Amorphous Calcium Carbonate: A Nanoscopic Dynamics View
Ayumi Koishi, A. Fernández-Martínez, Beatrice Ruta, M. Jiménez-Ruiz +5 more
2018Journal of Physical Chemistry C42 citations Open access
Semantic Scholar
A diamond anvil cell with resistive heating for high pressure and high temperature x-ray diffraction and absorption studies.
S. Pasternak, G. Aquilanti, S. Pascarelli, R. Poloni +3 more
2008Review of Scientific Instruments42 citations
Semantic Scholar
Biased Spin-State Energetics of Fe(II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction.
Lorenzo A. Mariano, Bess Vlaisavljevich, R. Poloni
2020Journal of Chemical Theory and Computation38 citations
Semantic Scholar
Twin boundary migration in an individual platinum nanocrystal during catalytic CO oxidation
J. Carnis, Aseem Rajan Kshirsagar, Long-Fei Wu, M. Dupraz +17 more
2021Nature Communications36 citations Open access
Semantic Scholar
Probing the mechanism of CO₂ capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy.
W. Drisdell, R. Poloni, T. M. McDonald, T. Pascal +8 more
2015Physical Chemistry, Chemical Physics - PCCP31 citations Open access
Semantic Scholar
Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks.
Chi-Ta Yang, Aseem Rajan Kshirsagar, A. C. Eddin, Li-Chiang Lin +1 more
2018Chemistry29 citations Open access
Semantic Scholar
Improved Spin-State Energy Differences of Fe(II) Molecular and Crystalline Complexes via the Hubbard U-Corrected Density.
Lorenzo A. Mariano, Bess Vlaisavljevich, R. Poloni
2021Journal of Chemical Theory and Computation28 citations
Semantic Scholar
Liquid gallium in confined droplets under high-temperature and high-pressure conditions
R. Poloni, S. De Panfilis, A. Di Cicco, G. Pratesi +3 more
200528 citations
Semantic Scholar
Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study.
Aseem Rajan Kshirsagar, X. Blase, C. Attaccalite, R. Poloni
2021Journal of Physical Chemistry Letters25 citations Open access
Semantic Scholar
Metastable phase diagram of Bi probed by single-energy x-ray absorption detection and angular dispersive x-ray diffraction
E. Principi, M. Minicucci, A. Di Cicco, A. Trapananti +2 more
200622 citations
Semantic Scholar
Pressure-induced deformation of theC60fullerene inRb6C60andCs6C60
R. Poloni, M. Fernández-Serra, S. Le Floch, S. De Panfilis +5 more
200821 citations
Semantic Scholar
A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout
Esther Resines-Urien, E. Burzurí, Estefania Fernandez-Bartolome, Miguel Ángel García García-Tuñón +4 more
2019Chemical Science19 citations Open access
Semantic Scholar
Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework
Ana Martinez-Martinez, Esther Resines-Urien, Lucía Piñeiro-López, A. Fernández-Blanco +8 more
2023Chemistry of Materials14 citations Open access
Semantic Scholar
Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method
Youhan Lee, R. Poloni, Jihan Kim
2016Journal of Computational Chemistry14 citations
Semantic Scholar
Accurate prediction of the S1 excitation energy in solvated azobenzene derivatives via embedded orbital-tuned Bethe-Salpeter calculations.
Aseem Rajan Kshirsagar, G. D'Avino, X. Blase, Jing Li +1 more
2019Journal of Chemical Theory and Computation12 citations Open access
Semantic Scholar
A first-principles study of the effect of charge doping on the 1D polymerization of C60
R. Poloni, A. Miguel, M. Fernandez-Serra
2012Journal of Physics: Condensed Matter12 citations Open access
Semantic Scholar
An efficient computational method for use in structural studies of crystals with substitutional disorder
R. Poloni, J. Íñiguez, Alberto García, E. Canadell
2010Journal of Physics: Condensed Matter12 citations Open access
Semantic Scholar
Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models
Aseem Rajan Kshirsagar, C. Attaccalite, X. Blase, Jing Li +1 more
2021Journal of Physical Chemistry C11 citations Open access
Semantic Scholar
Predicting low-k zeolite materials
R. Poloni, Jihan Kim
201411 citations
Semantic Scholar
High-pressure phase transition inRb6C60
R. Poloni, G. Aquilanti, P. Toulemonde, S. Pascarelli +5 more
200811 citations Open access
Semantic Scholar
Thermodynamics of gas adsorption in MOFs using Ab Initio calculations
R. Poloni, Jihan Kim
20169 citations Open access
Semantic Scholar
Probing the mechanism of CO2 capture in diamine-appended metalorganic frameworks using measured and simulated X-ray spectroscopy
W. Drisdell, R. Poloni, T. M. McDonald, T. Pascal +8 more
20159 citations
Semantic Scholar
Assessing the Role of the Kohn-Sham Density in the Calculation of the Low-Lying Bethe-Salpeter Excitation Energies.
Aseem Rajan Kshirsagar, R. Poloni
2023Journal of Physical Chemistry A7 citations Open access
Semantic Scholar
CO and CO2 adsorption mechanism in Fe(pz)[Pt(CN)4] probed by neutron scattering and density-functional theory calculations.
A. Fernández-Blanco, Lucía Piñeiro-López, M. Jiménez-Ruiz, S. Rols +4 more
2022Physical Chemistry, Chemical Physics - PCCP7 citations Open access
Semantic Scholar
Tunable Proton Conductivity and Color in a Nonporous Coordination Polymer via Lattice Accommodation to Small Molecules
Aysegul Develioglu, Esther Resines-Urien, R. Poloni, Lucía Martín-Pérez +2 more
2021Advancement of science7 citations Open access
Semantic Scholar
Probing the electric field-induced doping mechanism in YBa2Cu3O7 using computed Cu K-edge x-ray absorption spectra.
R. Poloni, A. L. Mariano, D. Prendergast, J. García-Barriocanal
2018Journal of Chemical Physics6 citations Open access
Semantic Scholar
Wetting layer of copper on the tantalum (001) surface
M. Dupraz, R. Poloni, K. Ratter, D. Rodney +4 more
20166 citations Open access
Semantic Scholar
Hidden ordered structure in the archetypical Fe(pyrazine)[Pt(CN)4] spin-crossover porous coordination compound
A. Fernández-Blanco, Lorenzo A. Mariano, Lucía Piñeiro-López, J. A. Real +3 more
2022CrysteEngComm5 citations Open access
Semantic Scholar
Ab initio study of charge doping effect on 1D polymerization of C60
R. Poloni, A. Miguel, M. Fernandez-Serra
20114 citations Open access
Semantic Scholar
An Artificial Neural Network-based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes
J. P. D. de Mendonça, Lorenzo A. Mariano, Emilie Devijver, N. Jakse +1 more
20232 citations
Semantic Scholar
Electric field-induced oxygen vacancies in YBa2Cu3O7.
A. L. Mariano, R. Poloni
2020Journal of Chemical Physics2 citations Open access
Semantic Scholar
Supporting information for : Ligand-assisted enhancement of CO 2 capture in metal organic frameworks
R. Poloni, B. Smit, J. Neaton
20122 citations
Semantic Scholar
Concerning the possibility of hidden one-dimensional Fermi surfaces for the K(0.25)WO(3) hexagonal bronze.
R. Poloni, E. Canadell, J. Pouget
2009Inorganic Chemistry2 citations Open access
Semantic Scholar
A cooperative insertion mechanism for efficient CO 2 capture in diamine-appended metal-organic frameworks
T. M. McDonald, Jarad A. Mason, Xueqian Kong, Eric D. Bloch +22 more
20141 citations
Semantic Scholar
Comment on “ Direct evidence for hidden one-dimensional Fermi surface of hexagonal K 0
R. Poloni, E. Canadell, J. Pouget
20091 citations
Semantic Scholar
Amorphization of Rb6C60 and Cs6C60 under high-temperature and high-pressure conditions
R. Poloni, P. Toulemonde, D. Machon, S. Le Floch +2 more
20091 citations
Semantic Scholar
Heavy alkali metal-intercalated fullerenes under high pressure and high temperature conditions
R. Poloni
20071 citations
Semantic Scholar
Metastable Bi under Extreme Conditions Investigated by Combined XAS and XRD
E. Principi, M. Minicucci, A. Di Cicco, A. Trapananti +2 more
20071 citations
Semantic Scholar
Software interoperability in electronic structure methods for atomistic materials simulations
J. Carrete, P. García-Fernández, M. Grüning, Xu He +8 more
2026Computational materials science0 citations Open access
Semantic Scholar

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