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Conchi O. Ania
INCAR, CSIC, Oviedo, Spain

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Journal article
Published: 03 April 2021 in Bioprocess and Biosystems Engineering
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This study reports the immobilization of two biocatalysts (e.g., cytochrome c—Cyt c—and the non-metalloenzyme formate dehydrogenase from Candida boidinii–cbFDH) on a series of mesoporous carbons with controlled pore sizes. The catalytic activity of the nanoconfined proteins was correlated with the pore size distribution of the carbon materials used as supports. The electrochemical behaviour of nanoconfined Cyt c showed direct electron transfer electroactivity in pore sizes matching tightly the protein dimension. The pseudo-peroxidase activity towards H2O2 reduction was enhanced at pH 4.0, due to the protein conformational changes. For cbFDH, the reduction of CO2 towards formic acid was evaluated for the nanoconfined protein, in the presence of nicotinamide adenine dinucleotide (NADH). The carbons displayed different cbFDH uptake capacity, governed by the dimensions of the main mesopore cavities and their accessibility through narrow pore necks. The catalytic activity of nanoconfined cbFDH was largely improved, compared to its performance in free solution. Regardless of the carbon support used, the production of formic acid was higher upon immobilization with lower nominal cbFDH:NADH ratios.

ACS Style

Naiara Hernández-Ibáñez; Vicente Montiel; Alicia Gomis-Berenguer; Conchi Ania; Jesús Iniesta. Effect of confinement of horse heart cytochrome c and formate dehydrogenase from Candida boidinii on mesoporous carbons on their catalytic activity. Bioprocess and Biosystems Engineering 2021, 44, 1699 -1710.

AMA Style

Naiara Hernández-Ibáñez, Vicente Montiel, Alicia Gomis-Berenguer, Conchi Ania, Jesús Iniesta. Effect of confinement of horse heart cytochrome c and formate dehydrogenase from Candida boidinii on mesoporous carbons on their catalytic activity. Bioprocess and Biosystems Engineering. 2021; 44 (8):1699-1710.

Chicago/Turabian Style

Naiara Hernández-Ibáñez; Vicente Montiel; Alicia Gomis-Berenguer; Conchi Ania; Jesús Iniesta. 2021. "Effect of confinement of horse heart cytochrome c and formate dehydrogenase from Candida boidinii on mesoporous carbons on their catalytic activity." Bioprocess and Biosystems Engineering 44, no. 8: 1699-1710.

Journal article
Published: 08 March 2021 in Materials Science and Engineering: B
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Natural fibres constitute interesting, low cost and environmentally friendly precursors of carbon fibres. However, they are prone to fuse and degrade upon thermal treatment, affecting the properties of the products unless a stabilization step was included. Aiming to reach a better understanding of the stabilization mechanism of wool as a potential precursor for the preparation of carbon fibres, in this study we have analysed the chemical, structural and morphological transformations during its oxidative stabilization in air. Below 400 °C, both the structure and morphology of the fibres were preserved. The chemical composition changed with the stabilization temperature; main changes include the loss of secondary protein structure, cleavage of sulphur bridges, dehydration, oxidative crosslinking and rearrangements of N-groups through the formation of carbodiimides. Oxidation of the wool at 300 °C rendered materials with a fibrous morphology and high carbon yield (ca. 36 wt%), yielding carbon fibres upon carbonization at high temperatures.

ACS Style

Ana Claudia Pina; Nestor Tancredi; Conchi O. Ania; Alejandro Amaya. Stabilisation of sheep wool fibres under air atmosphere: Study of physicochemical changes. Materials Science and Engineering: B 2021, 268, 115115 .

AMA Style

Ana Claudia Pina, Nestor Tancredi, Conchi O. Ania, Alejandro Amaya. Stabilisation of sheep wool fibres under air atmosphere: Study of physicochemical changes. Materials Science and Engineering: B. 2021; 268 ():115115.

Chicago/Turabian Style

Ana Claudia Pina; Nestor Tancredi; Conchi O. Ania; Alejandro Amaya. 2021. "Stabilisation of sheep wool fibres under air atmosphere: Study of physicochemical changes." Materials Science and Engineering: B 268, no. : 115115.

Research article
Published: 11 December 2020 in ACS Applied Materials & Interfaces
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A new generation of confined palladium(II) catalysts covalently attached inside of porous organic polymers (POPs) has been attained. The synthetic approach employed was straightforward, and there was no prerequisite for making any modification of the precursor polymer. First, POP-based catalytic supports were obtained by reacting one symmetric trifunctional aromatic monomer (1,3,5-triphenylbenzene) with two ketones having electron-withdrawing groups (4,5-diazafluoren-9-one, DAFO, and isatin) in superacidic media. The homopolymers and copolymers were made using stoichiometric ratios between the functional groups, and they were obtained with quantitative yields after the optimization of reaction conditions. Moreover, the number of chelating groups (bipyridine moieties) available to bind Pd(II) ions to the catalyst supports was modified using different DAFO/isatin ratios. The resulting amorphous polymers and copolymers showed high thermal stability, above 500 °C, and moderate–high specific surface areas (from 760 to 935 m2 g–1), with high microporosity contribution (from 64 to 77%). Next, POP-supported Pd(II) catalysts were obtained by simple immersion of the catalyst supports in a palladium(II) acetate solution, observing that the metal content was similar to that theoretically expected according to the amount of bipyridine groups present. The catalytic activity of these heterogeneous catalysts was explored for the synthesis of biphenyl and terphenyl compounds, via the Suzuki–Miyaura cross-coupling reaction using a green solvent (ethanol/water), low palladium loads, and aerobic conditions. The findings showed excellent catalytic activity with quantitative product yields. Additionally, the recyclability of the catalysts, by simply washing it with ethanol, was excellent, with a sp2–sp2 coupling yield higher than 95% after five cycles of use. Finally, the feasibility of these catalysts to be employed in tangible organic reactions was assessed. Thus, the synthesis of a bulky compound, 4,4′-dimethoxy-5′-tert-butyl-m-terphenylene, which is a precursor of a thermal rearrangement monomer, was scaled-up to 2 g, with high conversion and 96% yield of the pure product.

ACS Style

Noelia Esteban; María L. Ferrer; Conchi O. Ania; José G. De La Campa; Ángel E. Lozano; Cristina Álvarez; Jesús A. Miguel. Porous Organic Polymers Containing Active Metal Centers for Suzuki–Miyaura Heterocoupling Reactions. ACS Applied Materials & Interfaces 2020, 12, 56974 -56986.

AMA Style

Noelia Esteban, María L. Ferrer, Conchi O. Ania, José G. De La Campa, Ángel E. Lozano, Cristina Álvarez, Jesús A. Miguel. Porous Organic Polymers Containing Active Metal Centers for Suzuki–Miyaura Heterocoupling Reactions. ACS Applied Materials & Interfaces. 2020; 12 (51):56974-56986.

Chicago/Turabian Style

Noelia Esteban; María L. Ferrer; Conchi O. Ania; José G. De La Campa; Ángel E. Lozano; Cristina Álvarez; Jesús A. Miguel. 2020. "Porous Organic Polymers Containing Active Metal Centers for Suzuki–Miyaura Heterocoupling Reactions." ACS Applied Materials & Interfaces 12, no. 51: 56974-56986.

Paper
Published: 09 September 2020 in Physical Chemistry Chemical Physics
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Tuning the reduction degree and the nature of surface defects (vacancies, sp3) in rGO upon combined mild photo(electro)chemical reduction.

ACS Style

Javier A. Quezada Renteria; Cristina Ruiz-Garcia; Thierry Sauvage; Luis F. Chazaro-Ruiz; Jose R. Rangel-Mendez; Conchi O. Ania. Photochemical and electrochemical reduction of graphene oxide thin films: tuning the nature of surface defects. Physical Chemistry Chemical Physics 2020, 22, 20732 -20743.

AMA Style

Javier A. Quezada Renteria, Cristina Ruiz-Garcia, Thierry Sauvage, Luis F. Chazaro-Ruiz, Jose R. Rangel-Mendez, Conchi O. Ania. Photochemical and electrochemical reduction of graphene oxide thin films: tuning the nature of surface defects. Physical Chemistry Chemical Physics. 2020; 22 (36):20732-20743.

Chicago/Turabian Style

Javier A. Quezada Renteria; Cristina Ruiz-Garcia; Thierry Sauvage; Luis F. Chazaro-Ruiz; Jose R. Rangel-Mendez; Conchi O. Ania. 2020. "Photochemical and electrochemical reduction of graphene oxide thin films: tuning the nature of surface defects." Physical Chemistry Chemical Physics 22, no. 36: 20732-20743.

Research article
Published: 07 July 2020 in ACS Sustainable Chemistry & Engineering
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Aqueous dilutions of deep eutectic solvents (DESs) have lately allowed exploring new and more demanding applications where neat DESs are not capable to perform well. However, the use of DES dilutions with non-aqueous hydrogen-bond-forming solvents remains basically unexplored. It is worth noting the obvious interest of using organic solvents in those cases where any reagent or by-product is non-soluble, non-miscible or unstable in water, the presence of water might alter the reaction kinetics (for instance, when water is a by-product), or a co-solvent with low vapour pressure allows exploring reaction processes (high temperatures or solvothermal conditions, among others) not suitable for water. Herein, we investigated benzyl alcohol (BA) dilutions of RUChCl, a DES composed of resorcinol (R), urea (U) and choline chloride (ChCl). In particular, neutron scattering, nuclear magnetic resonance and Brillouin experiments revealed how BA was accommodated within the hydrogen-bond (HB) complex structure of RUChCl for BA contents of up to 67 wt% whereas this HB complex structure basically disappeared for higher BA contents. This behaviour somehow resembled that found in aqueous solutions, with two well differentiated regimes – e.g., the “solvent-in-DES” and the “DES-in-solvent” – depending on the DES content. However, the “solvent-in-DES” regime was preserved for much higher solvent contents of BA than H2O – e.g., 60-65 versus 18-20 wt%, respectively. Interestingly, the specific BA dilution where transition from one regime to the other occurs was particularly well suited to develop a spinodal decomposition process when used as the precursor for the preparation of polymer resins (by polycondensation between R and para-phthalaldehyde).

ACS Style

Nieves Lopez-Salas; José Manuel Vicent-Luna; Elena Posada; Silvia Imberti; Rafael M. Madero Castro; Sofía Calero; Conchi O. Ania; Rafael J Jiménez Rioboó; Maria Concepcion Gutierrez; María Luisa Ferrer; Francisco Del Monte. Further Extending the Dilution Range of the “Solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities. ACS Sustainable Chemistry & Engineering 2020, 8, 12120 -12131.

AMA Style

Nieves Lopez-Salas, José Manuel Vicent-Luna, Elena Posada, Silvia Imberti, Rafael M. Madero Castro, Sofía Calero, Conchi O. Ania, Rafael J Jiménez Rioboó, Maria Concepcion Gutierrez, María Luisa Ferrer, Francisco Del Monte. Further Extending the Dilution Range of the “Solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities. ACS Sustainable Chemistry & Engineering. 2020; 8 (32):12120-12131.

Chicago/Turabian Style

Nieves Lopez-Salas; José Manuel Vicent-Luna; Elena Posada; Silvia Imberti; Rafael M. Madero Castro; Sofía Calero; Conchi O. Ania; Rafael J Jiménez Rioboó; Maria Concepcion Gutierrez; María Luisa Ferrer; Francisco Del Monte. 2020. "Further Extending the Dilution Range of the “Solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities." ACS Sustainable Chemistry & Engineering 8, no. 32: 12120-12131.

Journal article
Published: 20 May 2020 in Journal of Photochemistry and Photobiology A: Chemistry
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This study provides a critical analysis on the use of diffuse reflectance spectroscopy and Tauc equation to estimate the optical energy bandgap of semiconductor/carbon composites and amorphous porous carbons. Determination of the energy gap from diffuse reflectance is strongly dependent on the analyst’s experience, due to uncertainties related to establish the adequate range to fit the experimental data to Tauc equation, and to identify the type of electronic transitions. Furthermore, its application to strong light absorbing or multiphase materials with several absorbing components is not straightforward, due to the appearance of various curvatures/linear ranges. For such, reporting the linear fitting range used in the diffuse reflectance spectra is recommended to avoid miscalculation of a gap value. For materials absorbing in the visible range (e.g., displaced onset in Tauc representation), a double-linear fitting must be used in the extrapolation of [F(R∞)hv]1/n to avoid underestimation of Eg values. For amorphous porous carbons, different optical responses were obtained from the diffuse reflectance spectra recorded upon dilution with a non-absorbing matrix. The application of Tauc equation (indirect transitions) to data rendered bandgap values ranging between 1.5–2.3 eV for fourteen carbons, which are in agreement with those reported for these materials.

ACS Style

Getaneh Diress Gesesse; Alicia Gomis-Berenguer; Marie-France Barthe; Conchi O. Ania. On the analysis of diffuse reflectance measurements to estimate the optical properties of amorphous porous carbons and semiconductor/carbon catalysts. Journal of Photochemistry and Photobiology A: Chemistry 2020, 398, 112622 .

AMA Style

Getaneh Diress Gesesse, Alicia Gomis-Berenguer, Marie-France Barthe, Conchi O. Ania. On the analysis of diffuse reflectance measurements to estimate the optical properties of amorphous porous carbons and semiconductor/carbon catalysts. Journal of Photochemistry and Photobiology A: Chemistry. 2020; 398 ():112622.

Chicago/Turabian Style

Getaneh Diress Gesesse; Alicia Gomis-Berenguer; Marie-France Barthe; Conchi O. Ania. 2020. "On the analysis of diffuse reflectance measurements to estimate the optical properties of amorphous porous carbons and semiconductor/carbon catalysts." Journal of Photochemistry and Photobiology A: Chemistry 398, no. : 112622.

Correspondence
Published: 01 April 2020 in Carbon
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A novel energetic material based on nanoporous carbons as main ingredient is herein reported for the first time. Prepared by filling the pores of nanoporous carbons with an oxidizer, its energetic character is demonstrated. The decomposition of the oxidizer confined in the nanopores of the carbon renders a material capable to sustain a detonation. The energetic character -temperature and reactivity- seems to be promoted by the nanoconfinement of the salts. The safety properties of such materials are in line with the requirements for application as high explosives or propellants.

ACS Style

Romuald Van Riet; Eder Amayuelas; Peter Lodewyckx; Michel H. Lefebvre; Conchi O. Ania. Novel opportunities for nanoporous carbons as energetic materials. Carbon 2020, 164, 129 -132.

AMA Style

Romuald Van Riet, Eder Amayuelas, Peter Lodewyckx, Michel H. Lefebvre, Conchi O. Ania. Novel opportunities for nanoporous carbons as energetic materials. Carbon. 2020; 164 ():129-132.

Chicago/Turabian Style

Romuald Van Riet; Eder Amayuelas; Peter Lodewyckx; Michel H. Lefebvre; Conchi O. Ania. 2020. "Novel opportunities for nanoporous carbons as energetic materials." Carbon 164, no. : 129-132.

Review article
Published: 27 March 2020 in Carbon
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This paper addresses the challenges of explaining the behavior of porous carbons in cutting-edge applications related to energy storage, catalysis, photocatalysis, and advanced separation based on reactive adsorption. It is a summary of the outcomes of the extensive discussion which took place during the workshop “Beyond Adsorption-II: new perspectives and challenges for nanoporous carbons,” organized as a satellite event to the International Carbon Conference on July 20th , 2019 in New York. It is not our intention to provide a tutorial on the applications, characterization or performance testing of porous carbons; we would rather like to focus on the controversy of the results and phenomena, on the explanation of findings, and on raising concerns to the growing carbon-researching scientific community about the importance of understanding the features of nanoporous carbons by choosing an appropriate characterization technique that will bring meaningful information. We want to emphasize that nanoporous carbons have unique features ensuring them making a marked advance in science and technology. Even though recent studies have shown their potential in various emerging applications, the origin of such performance is not yet well understood. Thus, scientists are encouraged to focus on a precise characterization of porous carbons using a set of complementary techniques for triggering future technological developments.

ACS Style

Conchi O. Ania; Phillip A. Armstrong; Teresa J. Bandosz; Francois Beguin; Ana P. Carvalho; Alain Celzard; Elzbieta Frackowiak; Miguel A. Gilarranz; Krisztina László; Juan Matos; Manuel Fernando Pereira. Engaging nanoporous carbons in “beyond adsorption” applications: Characterization, challenges and performance. Carbon 2020, 164, 69 -84.

AMA Style

Conchi O. Ania, Phillip A. Armstrong, Teresa J. Bandosz, Francois Beguin, Ana P. Carvalho, Alain Celzard, Elzbieta Frackowiak, Miguel A. Gilarranz, Krisztina László, Juan Matos, Manuel Fernando Pereira. Engaging nanoporous carbons in “beyond adsorption” applications: Characterization, challenges and performance. Carbon. 2020; 164 ():69-84.

Chicago/Turabian Style

Conchi O. Ania; Phillip A. Armstrong; Teresa J. Bandosz; Francois Beguin; Ana P. Carvalho; Alain Celzard; Elzbieta Frackowiak; Miguel A. Gilarranz; Krisztina László; Juan Matos; Manuel Fernando Pereira. 2020. "Engaging nanoporous carbons in “beyond adsorption” applications: Characterization, challenges and performance." Carbon 164, no. : 69-84.

Research article
Published: 24 February 2020 in ACS Applied Bio Materials
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Thirteen carbon materials comprising commercial activated carbons and lab-made materials (activated carbons, hydrochars, and low-T and high-T activated hydrochars) were assayed as sorbent coatings in bar adsorptive microextration (BAµE) to monitor trace levels of ten common pharmaceutical compounds (PhCs) in environmental water matrices, including surface water, sea water, tap water and wastewater. Polar and non-polar pharmaceuticals were selected - sulfamethoxazole, triclosan, carbamazepine, diclofenac, mefenamic acid, 17α-ethinylestradiol, 17β-estradiol, estrone, gemfibrozil and clofibric acid - as model compounds to cover distinct therapeutic classes. Despite having a less-developed porosity, data showed that “in-house” prepared low-T activated hydrochars, obtained from carbohydrates and an eutectic salt mixture at low temperature (e.g., 180 ºC) and auto-generated pressure, compete with the best commercial activated carbons for this particular application. The combination of a micro and mesopore network with a rich oxygen-based surface chemistry yielding an acidic nature allowed these low-T activated hydrochars to present the best overall recoveries (between 20.9 and 82.4 %) for the simultaneous determination of the ten target PhCs with very distinct chemical properties, using high performance liquid chromatography-diode array detection (HPLC-DAD).

ACS Style

Samir Marcos Ahmad; Ana Mestre; Nuno R. Neng; Conchi O. Ania; Ana Carvalho; José Manuel Florêncio Nogueira. Carbon-Based Sorbent Coatings for the Determination of Pharmaceutical Compounds by Bar Adsorptive Microextraction. ACS Applied Bio Materials 2020, 3, 2078 -2091.

AMA Style

Samir Marcos Ahmad, Ana Mestre, Nuno R. Neng, Conchi O. Ania, Ana Carvalho, José Manuel Florêncio Nogueira. Carbon-Based Sorbent Coatings for the Determination of Pharmaceutical Compounds by Bar Adsorptive Microextraction. ACS Applied Bio Materials. 2020; 3 (4):2078-2091.

Chicago/Turabian Style

Samir Marcos Ahmad; Ana Mestre; Nuno R. Neng; Conchi O. Ania; Ana Carvalho; José Manuel Florêncio Nogueira. 2020. "Carbon-Based Sorbent Coatings for the Determination of Pharmaceutical Compounds by Bar Adsorptive Microextraction." ACS Applied Bio Materials 3, no. 4: 2078-2091.

Journal article
Published: 09 January 2020 in Chemical Engineering Journal
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Ammonia is an important chemical compound used in a wide range of applications. This makes its capture, purification and recovery necessary. We combine experimental and molecular simulation techniques to identify the molecular mechanisms ruling the adsorption of ammonia in pure and high silica zeolites. To reproduce accurately the interaction between ammonia and the zeolites the development of a transferable set of Lennard-Jones parameters was needed. Adsorption isotherms were measured and also calculated using the new set of parameters for several commercial pure silica zeolites, including MFI, FAU, and LTA topologies. We found an anomalous behavior of the adsorption isotherm of ammonia in MFI, which can be explained through a monoclinic to orthorhombic structural phase transition. We also found that low concentration of extra-framework cations favors the adsorption of ammonia in these high silica zeolites. Using radial distribution functions and hydrogen bond analyses we identified ammonia clusterization as the key mechanism involved in the adsorption. Based on it, hydrophobic zeolites with large pores could be used for ammonia sequestration with lower cost than the currently used techniques.

ACS Style

I. Matito-Martos; A. Martin-Calvo; C.O. Ania; J.B. Parra; J.M. Vicent-Luna; S. Calero. Role of hydrogen bonding in the capture and storage of ammonia in zeolites. Chemical Engineering Journal 2020, 387, 124062 .

AMA Style

I. Matito-Martos, A. Martin-Calvo, C.O. Ania, J.B. Parra, J.M. Vicent-Luna, S. Calero. Role of hydrogen bonding in the capture and storage of ammonia in zeolites. Chemical Engineering Journal. 2020; 387 ():124062.

Chicago/Turabian Style

I. Matito-Martos; A. Martin-Calvo; C.O. Ania; J.B. Parra; J.M. Vicent-Luna; S. Calero. 2020. "Role of hydrogen bonding in the capture and storage of ammonia in zeolites." Chemical Engineering Journal 387, no. : 124062.

Journal article
Published: 04 January 2020 in Materials
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This work investigates the impact of carbon black (CB) as a porogenic agent and conductive additive in the preparation of electrically conductive nanoporous carbon gels. For this, a series of materials were prepared by the polycondensation of resorcinol/formaldehyde mixtures in the presence of increasing amounts of carbon black. The conductivity of the carbon gel/CB composites increased considerably with the amount of CB, indicating a good dispersion of the additive within the carbon matrix. A percolation threshold of ca. 8 wt.% of conductive additive was found to achieve an adequate “point to point” conductive network. This value is higher than that reported for other additives, owing to the synthetic route chosen, as the additive was incorporated in the reactant’s mixture (pre-synthesis) rather than in the formulation of the electrodes ink (post-synthesis). The CB strongly influenced the development of the porous architecture of the gels that exhibited a multimodal mesopore structure comprised of two distinct pore networks. The microporosity and the primary mesopore structure remained rather unchanged. On the contrary, a secondary network of mesopores was formed in the presence of the additive. Furthermore, the average mesopore size and the volume of the secondary network increased with the amount of CB.

ACS Style

Ana Casanova; Alicia Gomis-Berenguer; Aurélien Canizarès; Patrick Simon; Dolores Calzada; Conchi O. Ania. Carbon Black as Conductive Additive and Structural Director of Porous Carbon Gels. Materials 2020, 13, 217 .

AMA Style

Ana Casanova, Alicia Gomis-Berenguer, Aurélien Canizarès, Patrick Simon, Dolores Calzada, Conchi O. Ania. Carbon Black as Conductive Additive and Structural Director of Porous Carbon Gels. Materials. 2020; 13 (1):217.

Chicago/Turabian Style

Ana Casanova; Alicia Gomis-Berenguer; Aurélien Canizarès; Patrick Simon; Dolores Calzada; Conchi O. Ania. 2020. "Carbon Black as Conductive Additive and Structural Director of Porous Carbon Gels." Materials 13, no. 1: 217.

Journal article
Published: 03 January 2020 in Carbon
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For years, the characterization of carbon pore size distribution (PSD) has been dominated by the analysis of N2 isotherms. Recently, the IUPAC Technical Report (2015) recommended Ar as inert gas for this analysis. N2 molecule due to its significant quadrupole moment may selectively interact with the polar surface sites and affect the isotherm measurement. CO2, another gas that is often used for the characterization of microporous carbons exhibits even higher quadrupole moment than N2. In the present study, we substitute N2 and CO2 with O2 and H2 gases that have much lower quadrupole moments. The PSD calculations are performed using molecular models based on classical and quantum corrected two-dimensional nonlocal density functional theory (2D-NLDFT). We compare the results of the dual gas analysis methods by the simultaneous fit of our models to N2 & CO2, and O2 & H2 isotherms for several reference carbon samples and demonstrate consistency between the results derived from both pairs of isotherms. A fundamental and practical benefit of using the dual gas analysis method is the ability to obtain the full micro and mesopore PSD by using a partial O2 isotherm without low-pressure data in combination with full H2 isotherm both measured at 77 K.

ACS Style

Jacek Jagiello; Jeffrey Kenvin; Conchi O. Ania; Jose B. Parra; Alain Celzard; Vanessa Fierro. Exploiting the adsorption of simple gases O2 and H2 with minimal quadrupole moments for the dual gas characterization of nanoporous carbons using 2D-NLDFT models. Carbon 2020, 160, 164 -175.

AMA Style

Jacek Jagiello, Jeffrey Kenvin, Conchi O. Ania, Jose B. Parra, Alain Celzard, Vanessa Fierro. Exploiting the adsorption of simple gases O2 and H2 with minimal quadrupole moments for the dual gas characterization of nanoporous carbons using 2D-NLDFT models. Carbon. 2020; 160 ():164-175.

Chicago/Turabian Style

Jacek Jagiello; Jeffrey Kenvin; Conchi O. Ania; Jose B. Parra; Alain Celzard; Vanessa Fierro. 2020. "Exploiting the adsorption of simple gases O2 and H2 with minimal quadrupole moments for the dual gas characterization of nanoporous carbons using 2D-NLDFT models." Carbon 160, no. : 164-175.

Editorial
Published: 01 October 2019 in Adsorption
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ACS Style

Conchi O. Ania. Editorial special issue IBA-3. Adsorption 2019, 26, 151 -152.

AMA Style

Conchi O. Ania. Editorial special issue IBA-3. Adsorption. 2019; 26 (2):151-152.

Chicago/Turabian Style

Conchi O. Ania. 2019. "Editorial special issue IBA-3." Adsorption 26, no. 2: 151-152.

Chapter
Published: 28 April 2019 in Smart and Sustainable Planning for Cities and Regions
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The aim of this chapter is to provide an overview on synthetic approaches for the preparation of activated carbons with adequate porosity for the storage and separation of small gases of strategic interest (e.g., H2, CO2, and CH4). Nanoporous carbons are versatile materials that can exist in 3D architectures with high specific surface areas and pores of nanometric dimensions, which can be modulated by the choice of the precursor and the synthesis route. Even though numerous works exist on exploring approaches for the preparation of activated carbons with a controlled pore texture, we limit the discussion here to the control of the microporosity in carbons, since they exhibit the best performance in terms of gas storage, separation, and packing densities. We have summarized most relevant methodologies (covering conventional activations methods as well as new approaches) based on a rational material’s design to control the porosity, emphasizing on the preparation of microporous carbons.

ACS Style

Conchi O. Ania; Encarnacion Raymundo-Piñero. Nanoporous Carbons with Tuned Porosity. Smart and Sustainable Planning for Cities and Regions 2019, 91 -135.

AMA Style

Conchi O. Ania, Encarnacion Raymundo-Piñero. Nanoporous Carbons with Tuned Porosity. Smart and Sustainable Planning for Cities and Regions. 2019; ():91-135.

Chicago/Turabian Style

Conchi O. Ania; Encarnacion Raymundo-Piñero. 2019. "Nanoporous Carbons with Tuned Porosity." Smart and Sustainable Planning for Cities and Regions , no. : 91-135.

Research article
Published: 25 April 2019 in ACS Applied Materials & Interfaces
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Stable molecular hydrogen isotopes, D2 and T2, are both scarce and essential in several energy, industrial and large-scale, fundamental research applications. Due to the chemical similarity of these isotopes, their extraction and purification from hydrogen has relied for decades on expensive and energy-demanding processes. However, factoring in the phenomenon of quantum sieving could provide a new route for these separations. In this work, we have explored how to separate hydrogen isotopes by adsorption taking these quantum effects into account. To this end, we have conducted adsorption measurements to test our deuterium model, and performed a widespread computational screening over 210 pure-silica zeolites for D2:H2 and T2:H2 separations. Based on low-coverage adsorption properties, a reduced set of zeolites have been singled out and their performance in terms of adsorption capacity, selectivity and dynamic behavior have been assessed. Overall, the BCT-type zeolite clearly stands out for highly selective separations of both D2 and T2 over H2, achieving the highest reported selectivities at cryogenic temperatures. We also identified other interesting zeolites for the separation of hydrogen isotopes that offer an alternative way to tackle similar isotopic separations by an aimed selection or design of porous materials.

ACS Style

Julio Perez-Carbajo; José B. Parra; Conchi O. Ania; Patrick J. Merkling; Sofia Calero. Molecular Sieves for the Separation of Hydrogen Isotopes. ACS Applied Materials & Interfaces 2019, 11, 18833 -18840.

AMA Style

Julio Perez-Carbajo, José B. Parra, Conchi O. Ania, Patrick J. Merkling, Sofia Calero. Molecular Sieves for the Separation of Hydrogen Isotopes. ACS Applied Materials & Interfaces. 2019; 11 (20):18833-18840.

Chicago/Turabian Style

Julio Perez-Carbajo; José B. Parra; Conchi O. Ania; Patrick J. Merkling; Sofia Calero. 2019. "Molecular Sieves for the Separation of Hydrogen Isotopes." ACS Applied Materials & Interfaces 11, no. 20: 18833-18840.

Journal article
Published: 08 April 2019 in Molecules
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We have explored the simultaneous degradation of cyanides and thiocyanate present in wastewaters from a cokemaking factory using photoassisted methods under varied illumination conditions (from simulated solar light to UV light). Overall, the photochemical degradation of cyanides was more efficient than that of thiocyanates, regardless of the illumination conditions, the effect being more pronounced in the absence of a photocatalyst. This is due to their different degradation mechanism that in the case of thiocyanates is dominated by fast recombination reactions and/or charge transfer reactions to electron scavengers. In all cases, cyanate, ammonia, nitrates, and nitrites were formed at different amounts depending on the illumination conditions. The conversion yield under simulated solar light was almost complete for cyanides and quite high for thiocyanates after 6 h of illumination. Regarding toxicity, photochemical oxidation at 254 nm and under simulated solar light decreased significantly the toxicity of the pristine wastewater, showing a correlation with the intensity of the irradiation source. This indicate that simulated light can be effectively used to reduce the toxicity of industrial effluents, opening an interesting perspective for optimizing cyanide detoxification systems based on natural light.

ACS Style

Juan Jose Viña Mediavilla; Begoña Fernandez Perez; María Cocina Fernández de Córdoba; Julia Ayala Espina; Conchi O. Ania. Photochemical Degradation of Cyanides and Thiocyanates from an Industrial Wastewater. Molecules 2019, 24, 1373 .

AMA Style

Juan Jose Viña Mediavilla, Begoña Fernandez Perez, María Cocina Fernández de Córdoba, Julia Ayala Espina, Conchi O. Ania. Photochemical Degradation of Cyanides and Thiocyanates from an Industrial Wastewater. Molecules. 2019; 24 (7):1373.

Chicago/Turabian Style

Juan Jose Viña Mediavilla; Begoña Fernandez Perez; María Cocina Fernández de Córdoba; Julia Ayala Espina; Conchi O. Ania. 2019. "Photochemical Degradation of Cyanides and Thiocyanates from an Industrial Wastewater." Molecules 24, no. 7: 1373.

Journal article
Published: 26 January 2019 in Materials
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We have explored the impact of the incorporation of various amounts of carbons from varied physicochemical features as additives to Bi2WO6 for the photocatalytic degradation of a dye using simulated solar light. Data has revealed that the composition and acidic character of the carbon additive are important parameters in the performance of the Bi2WO6/carbon catalysts. The presence of a carbon additive improved the conversion of the dye, evidencing the occurrence of charge transfer reactions that involve radical mediated reactions. The catalysts prepared with 2 and 5 wt.% of carbon additive outperformed the bare semiconductor, despite the shielding effect of the carbon matrix. The acidic nature of the Bi2WO6/carbon catalysts governs the degradation pathway (due to the preferential adsorption of the dye), that proceeds via the deethylation of the auxochrome groups of the dye at short irradiation times, followed by the cleavage of the chromophore at long irradiation times. Regarding the characteristics of the carbons, the photocatalytic degradation rate is accelerated by carbons of acidic character and high oxygen content, whereas the porosity seems to play a minor role. The presence of the carbon additives also affects the toxicity of the treated solutions, rendering lower values after shorter irradiation periods.

ACS Style

Alicia Gomis-Berenguer; Irma Eliani; Vânia F. Lourenço; Rocio J. Carmona; Leticia F. Velasco; Conchi O. Ania. Insights on the Use of Carbon Additives as Promoters of the Visible-Light Photocatalytic Activity of Bi2WO6. Materials 2019, 12, 385 .

AMA Style

Alicia Gomis-Berenguer, Irma Eliani, Vânia F. Lourenço, Rocio J. Carmona, Leticia F. Velasco, Conchi O. Ania. Insights on the Use of Carbon Additives as Promoters of the Visible-Light Photocatalytic Activity of Bi2WO6. Materials. 2019; 12 (3):385.

Chicago/Turabian Style

Alicia Gomis-Berenguer; Irma Eliani; Vânia F. Lourenço; Rocio J. Carmona; Leticia F. Velasco; Conchi O. Ania. 2019. "Insights on the Use of Carbon Additives as Promoters of the Visible-Light Photocatalytic Activity of Bi2WO6." Materials 12, no. 3: 385.

Journal article
Published: 06 December 2018 in Catalysis Today
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Carbon-containing SiO2-based photocatalysts were prepared by the solvothermal treatment of rice husk as biogenic precursor in the presence and absence of TiO2 and used for the photocatalytic degradation of rhodamine-B under simulated solar light. Data showed that the prepared catalysts are mainly composed of biogenic silica and displayed mesoporous character with surface areas ranging from 65 to 174 m2 g-1. The obtained materials showed photocatalytic activity comparable to that of commercial TiO2-P25 powders for the degradation of rhodamine-B under sunlight. The calcination at 350 °C improved the photocatalytic activity of the biogenic precursor by three times in the absence of TiO2. At converse, calcination of sample SiO2-TiO2 decreased the photoactivity due to the appearance of non-photoactive TiSiO4 crystalline phases in the catalyst, as inferred by XRD and XPS. A reaction mechanism for rhodamine-B degradation excluding the deethylation pathway has been proposed, based on the evolution of the absorbance spectra of rhodamine-B upon the photocatalytic tests.

ACS Style

María Cocina Fernández de Córdoba; Juan Matos; Ricmary Montaña; Po Shan Poon; Silvania Lanfredi; Fabiano Rafael Praxedes; Juan Carlos Hernandez-Garrido; José J. Calvino; Elena Rodríguez-Aguado; Enrique Rodríguez-Castellón; Conchi O. Ania. Sunlight photoactivity of rice husks-derived biogenic silica. Catalysis Today 2018, 328, 125 -135.

AMA Style

María Cocina Fernández de Córdoba, Juan Matos, Ricmary Montaña, Po Shan Poon, Silvania Lanfredi, Fabiano Rafael Praxedes, Juan Carlos Hernandez-Garrido, José J. Calvino, Elena Rodríguez-Aguado, Enrique Rodríguez-Castellón, Conchi O. Ania. Sunlight photoactivity of rice husks-derived biogenic silica. Catalysis Today. 2018; 328 ():125-135.

Chicago/Turabian Style

María Cocina Fernández de Córdoba; Juan Matos; Ricmary Montaña; Po Shan Poon; Silvania Lanfredi; Fabiano Rafael Praxedes; Juan Carlos Hernandez-Garrido; José J. Calvino; Elena Rodríguez-Aguado; Enrique Rodríguez-Castellón; Conchi O. Ania. 2018. "Sunlight photoactivity of rice husks-derived biogenic silica." Catalysis Today 328, no. : 125-135.

Full paper
Published: 02 October 2018 in ChemistrySelect
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This study presents a stable, selective and reusable catalyst prepared by a biomass‐derived acid‐biochar (acid‐char) functionalized with the organometallic complex [MoI2(CO)3(MeCN)2] (Mo), yielding a material where the [MoI2(CO)3] core is coordinated at surface functional groups of the acid‐char material. The characterization of this catalyst, denoted as [email protected]‐char, by using various complementary techniques confirmed the successful immobilization of the [MoI2(CO)3] core at the surface of the acid‐char material. The catalytic activity of the material was evaluated for olefin epoxidation reactions of cis‐cyclooctene and R‐(+)‐limonene, varying relevant reaction parameters such as temperature, solvent and oxidant ratio. The [email protected]‐char showed an excellent selectivity for epoxide products at mild temperature (ca. 328 K). Interestingly, the catalyst exhibited its highest activity when the reaction was carried out under solventless conditions, allowing the catalysts reuse for several cycles. Thus, the synthesized [email protected]‐char contributed for a sustainable use of biomass waste (e. g., sisal) through the development of environmentally friendly processes avoiding the use of solvents.

ACS Style

Cécile Petit; Miguel V. Silva; Ana S. Mestre; Conchi O. Ania; Pedro D. Vaz; Ana Carvalho; Carla D. Nunes. Solventless Olefin Epoxidation Using a Mo–Loaded Sisal Derived Acid‐Char Catalyst. ChemistrySelect 2018, 3, 10357 -10363.

AMA Style

Cécile Petit, Miguel V. Silva, Ana S. Mestre, Conchi O. Ania, Pedro D. Vaz, Ana Carvalho, Carla D. Nunes. Solventless Olefin Epoxidation Using a Mo–Loaded Sisal Derived Acid‐Char Catalyst. ChemistrySelect. 2018; 3 (37):10357-10363.

Chicago/Turabian Style

Cécile Petit; Miguel V. Silva; Ana S. Mestre; Conchi O. Ania; Pedro D. Vaz; Ana Carvalho; Carla D. Nunes. 2018. "Solventless Olefin Epoxidation Using a Mo–Loaded Sisal Derived Acid‐Char Catalyst." ChemistrySelect 3, no. 37: 10357-10363.

Book chapter
Published: 03 September 2018 in Carbon-Based Metal-Free Catalysts
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Evidence on the photochemical activity of semiconductor and metal‐free nanoporous carbons upon irradiation in aqueous environments has opened new opportunities for these materials in photocatalysis, beyond their conventional use as inert supports of semiconductors. The aim of this chapter is to review the recent progress on the photocatalytic performance of nanoporous carbons under different illumination conditions, discussing the photochemical quantum yield of carbons of varied nature and physicochemical features toward the photodegradation of pollutants in water. The tight confinement inside the nanopores is important to minimize surface recombination and to increase the lifetime of the excitons photogenerated upon irradiation of the nanoporous carbons. Furthermore, matching of the molecular dimensions of the compound confined in the porosity of the carbon boosts the light conversion toward the visible spectrum. The composition of the nanoporous carbon is also essential for the stabilization of the charge carriers and to promote additional transfer reactions involving chromophoric surface moieties decorating the carbon matrix that are capable of generating vacancies upon irradiation under sunlight. Some progress is yet to be done toward the understanding of the fundamentals of the light/carbon/molecule interactions to design photoactive nanoporous carbons with optimized features for an enhanced photocatalytic response under solar light.

ACS Style

Alicia Gomis-Berenguer; Conchi O. Ania. Metal-Free Nanoporous Carbons in Photocatalysis. Carbon-Based Metal-Free Catalysts 2018, 501 -527.

AMA Style

Alicia Gomis-Berenguer, Conchi O. Ania. Metal-Free Nanoporous Carbons in Photocatalysis. Carbon-Based Metal-Free Catalysts. 2018; ():501-527.

Chicago/Turabian Style

Alicia Gomis-Berenguer; Conchi O. Ania. 2018. "Metal-Free Nanoporous Carbons in Photocatalysis." Carbon-Based Metal-Free Catalysts , no. : 501-527.