Search Results - "Batista, Ana P. de Lima"
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1
Precisely spun super rotors
Published in Nature communications (13-04-2021)“…Improved optical control of molecular quantum states promises new applications including chemistry in the quantum regime, precision tests of fundamental…”
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2
Cerium oxide-sulfur nanohybrids: Combining the robust adsorption of polysulfides with enhanced redox kinetics to improve the energy Storage capabilities of Li-S batteries
Published in Electrochimica acta (20-06-2021)“…•[CeO2]100-x-[S8]x nanohybrids are prepared by a simple and rapid synthetic approach.•The [CeO2]70-[S8]30 nanohybrid presents a capacity of 600 mA h g–1 over…”
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3
Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu2O‑Based Electrocatalytic Sensors?
Published in ACS catalysis (06-07-2018)“…By a combination of theoretical and experimental design, we unraveled the effect of {111} and {100} surface facets on the electrocatalytic sensing activities…”
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4
(N-Heterocyclic Carbene)-Palladate Complexes in Anionic Mizoroki–Heck Coupling Cycles: A Combined Experimental and Computational Study
Published in Organometallics (08-06-2015)“…The reaction of complex (SIPr)PdCl2(TEA) (SIPr = 1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene, TEA = triethylamine) with tertbutylammoniun chloride…”
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5
In situ FTIR insights into the electrooxidation mechanism of glucose as a function of the surface facets of Cu2O-based electrocatalytic sensors
Published in Journal of catalysis (01-07-2019)“…[Display omitted] •Mechanism investigation of glucose oxidation as function of shape in Cu2O NPs.•In situ results showed that the mechanism displayed…”
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6
Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods
Published in The journal of physical chemistry. B (03-03-2016)“…The aldol reaction catalyzed by an amine-substituted mesoporous silica nanoparticle (amine-MSN) surface was investigated using a large molecular cluster model…”
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7
DFT exploration of mechanistic pathways of an aza-Morita–Baylis–Hillman reaction
Published in Theoretical chemistry accounts (01-08-2016)“…A new bimolecular pathway for a model aza -MBH reaction is presented and then explored in more details by DFT/M06-2X calculations. For this bimolecular…”
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8
CO2 Sequestration by Triazolylidene‐Derived N‐Heterocyclic Olefins: A Computational Study
Published in ChemistrySelect (Weinheim) (12-06-2017)“…In the current work, computational modeling was used to explore the potential of 1,2,4‐triazolylidene‐derived N‐heterocyclic olefins (trNHOs) systems as CO2…”
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9
Plasmon enhanced oxygen evolution reaction on Au decorated Ni(OH)2 nanostructures: The role of alkaline cations solvation
Published in Applied catalysis. B, Environmental (01-04-2025)“…Water electrolysis is widely acknowledged to be kinetically hindered by the oxygen evolution reaction (OER), which involves multiple electron transfer steps. A…”
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10
Precisely Spun Super Rotors
Published 30-06-2021“…Nature Commun. 12, 2201 (2021) Improved optical control of molecular quantum states promises new applications including chemistry in the quantum regime,…”
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11
Gold–Rhodium Nanoflowers for the Plasmon-Enhanced CO2 Electroreduction Reaction upon Visible Light
Published in ACS catalysis (06-01-2023)“…Bimetallic nanostructures combining catalytic and plasmonic properties are a class of materials that might possess improved efficiency and/or selectivity in…”
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12
Gold–Rhodium Nanoflowers for the Plasmon-Enhanced CO 2 Electroreduction Reaction upon Visible Light
Published in ACS catalysis (06-01-2023)Get full text
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13
l -Cysteine electrooxidation in alkaline and acidic media: a combined spectroelectrochemical and computational study
Published in RSC advances (2017)“…Due to the numerous possible oxidation states of sulfur, l -cysteine and l -cystine are very important amino acids that are utilized to understand the…”
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14
Mor-Dalphos-Pd (II) oxidative addition complexes and related NH3 adducts: Insights into bonding and nonbonding interactions
Published in Journal of molecular structure (15-09-2016)“…The stabilizing effects and bonding properties of the Pd metallic center in [(κ2-P,N-Mor-Dalphos)Pd(Ar)Cl] complexes and related NH3 adducts were investigated…”
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15
Silanol-assisted carbinolamine formation in an amine-functionalized mesoporous silica surface: Theoretical investigation by fragmentation methods
Published in The journal of physical chemistry. B (15-12-2015)“…The aldol reaction catalyzed by an amine-substituted mesoporous silica nanoparticle (amine-MSN) surface was investigated using a large molecular cluster model…”
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16
Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu 2 O-Based Electrocatalytic Sensors?
Published in ACS catalysis (06-07-2018)Get full text
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17
CO 2 Sequestration by Triazolylidene-Derived N-Heterocyclic Olefins: A Computational Study
Published in ChemistrySelect (Weinheim) (12-06-2017)Get full text
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18
l-Cysteine electrooxidation in alkaline and acidic media: a combined spectroelectrochemical and computational studyElectronic supplementary information (ESI) available: Spectra taken for l-Cys and l-Cys2, at pH ≠ 0. See DOI: 10.1039/c6ra26576f
Published 23-01-2017“…Due to the numerous possible oxidation states of sulfur, l -cysteine and l -cystine are very important amino acids that are utilized to understand the…”
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