Alkaline and Alkaline-Earth Ceramic Oxides for CO2 Capture, Separation and Subsequent Catalytic Chemical Conversion

Ramírez-Moreno, Margarita J.; Romero‐Ibarra, Issis C.; Landeros, José Ortiz; Pfeiffer, Heriberto

doi:10.5772/57444

Cited by 8 publications

(5 citation statements)

References 175 publications

(264 reference statements)

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“…The presence of a supported metal oxide nanocluster on the rutile (110) surface presents potentially active sites for molecular adsorption that are not available on the corresponding surfaces of the alkaline earth oxides or on rutile (110). There has been a high level of interest in studying the interaction of water and CO2 on alkaline earth metal oxide surfaces [85][86][87][88][89][90][91][92][93][94][95][96][97][98][99][100][101] . The interaction of water at oxide surfaces is always of interest due to the presence of atmospheric water under many conditions and the possibility of surface hydroxylation.…”

Section: Introductionmentioning

confidence: 99%

“…The capture of CO2 occurs chemically through chemisorption and can produce the corresponding alkaline earth carbonate. These authors showed that MgO and CaO are among the materials with the best CO2 capture properties, with capacities of 17 mmol/g and 25 mmol/g 87 . In an early study, Pacchioni et al 97 studied CO2 adsorption at cluster models of MgO and CaO, using Hartree-Fock and MP2.…”

Section: Introductionmentioning

confidence: 99%

“…This leads to a more delocalised electron distribution and the oxygen-centred valence band states move to higher energy. This facilitate a stronger interaction with adsorbed molecules, such as water 95,97 or CO2 87,88,92,95,97,101,110 and we will discuss this for our nanocluster-modified rutile systems. In this paper we use DFT simulations to investigate the surface modification of rutile (110) with alkaline earth oxide nanoclusters.…”

Section: Introductionmentioning

confidence: 99%

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Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption

Nolan

2018

J. Mater. Chem. A

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption

Nolan

2018

J. Mater. Chem. A

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Section: Introductionmentioning

confidence: 99%

Alkaline Earth Metal Oxide Nanocluster Modification of Rutile TiO2 (110) Promotes Water Activation and CO2 Chemisorption

Nolan

2018

Preprint

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Metal oxide photocatalysts are widely studied for applications in solar driven environmental remediation, antimicrobial activity, hydrogen production and CO2 reduction to fuels. Common requirements for each technology include absorption of visible light, reduced charge carrier recombination and the ability to activate the initial molecule be it a pollutant, water or CO2. The leading photocatalyst is some form of TiO2. A significant amount of work has been undertaken to modifying TiO2 to induce visible light absorption. The structure and composition of the catalyst should facilitate separation of electrons and holes and having active sites on the catalyst is important to promote the initial adsorption and activation of molecules of interest. In this paper we present a first principles density functional theory (DFT) study of the modification of rutile TiO2 (110) with nanoclusters of the alkaline earth metal oxides (MgO, Ca, BaO) and we focus on the effect of surface modification on the key catalyst properties. The modification of rutile TiO2 with CaO and BaO induces a predicted red shift in light absorption. In all cases, photoexcited electrons and holes localise on oxygen in the nanocluster and surface Ti sites, thus enhancing charge separation. The presence of these non-bulk alkaline earth oxide nanoclusters provides highly active sites for water and CO2 adsorption. On MgO-rutile, water adsorbs molecularly and overcomes a barrier of only 0.36 eV for dissociation whereby hydroxyls are stabilised. On CaO- and BaO-modified rutile water adsorbs dissociatively. We attribute this to the high lying O 2p states in the alkaline earth oxide modifiers which are available to interact with water, as well as the non-bulk like geometry around the active site. Upon adsorption of CO2 the preferred binding mode is as a tridentate carbonate-like species, as characterised by geometry and vibrational modes. The carbonate is bound by up to 4 eV. Thus these heterostructures can be interesting for CO2 capture, helping alleviate the problem of CO2 emissions.

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“…Using small scale terracotta-MFC modules of roughly 10 cm height and 1 cm diameter in stacked systems, electricity was harvested from urine and other wastewaters to power DC motors and other devices (Walter et al, 2016). The same MFC design was utilized as a self-powered wastewater electrolyzer for electrocoagulation of heavy metals, caustic production at the cathode (pH > 10), and CO 2 sequestration (Ramírez-Moreno et al, 2014). Deposited salts and stripped ammonia can be thus recovered and utilized as fertilizers for agriculture in a circulareconomy approach [Behera et al, 2010;Sengupta et al, 2015].…”

Section: Introductionmentioning

confidence: 99%

Biochar-Terracotta Conductive Composites: New Design for Bioelectrochemical Systems

Cristiani¹,

Goglio²,

Marzorati³

et al. 2020

Front. Energy Res.

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Research in the field of bioelectrochemical systems is addressing the need to improve components and reduce their costs in the perspective of their large-scale application. In this view, innovative solid separators of electrodes, made of biochar and terracotta, are investigated. Biochar-based composites are produced from giant cane (Arundo Donax L.). Two different types of composite are used in this experiment: composite A, produced by pyrolysis of crushed chipping of A.donax L. mixed clay; and composite B, produced by pyrolysis of already-pyrolyzed giant cane (biochar) mixed with clay. Electrical resistivity, electrical capacity, porosity, water retention, and water leaching of the two composites types (A and B) with 1, 5, 10, 15, 20, and 30 mass percentages of carbon (w/w) are characterized and compared. Less than 1 kΩ cm of electrical resistance is obtained for composite A with a carbon content greater than 10%, while physical and electrical performances of composite B do not significantly change. SEM micrographs and 3D microcomputed tomography of different composite materials are provided, demonstrating a different matrix structure of carbon in the terracotta matrix. The possibility of suitably decreasing electric resistance and increasing water retention/leaching of composite A opens the way for a new class of resistive materials that can be simultaneously used as electrolytic separators and as external electric circuits, allowing a compact microbial fuel cell design. A proof of concept of such an MFC design was provided for different tested composites. Although all the anolytes become anaerobic, only the MFCs equipped with the composite A30% were able to produce power, reaching the maximum power peak in correspondence to resistance of about 1 kΩ. The low, but significant, produced power (about 40 mW m−2, cathode area) confirm that the proposed solution is particularly suitable for nutrient recovery and environment pollution bioremediation, where energy harvesting is not requested.

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Alkaline and Alkaline-Earth Ceramic Oxides for CO2 Capture, Separation and Subsequent Catalytic Chemical Conversion

Cited by 8 publications

References 175 publications

Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption

Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption

Alkaline Earth Metal Oxide Nanocluster Modification of Rutile TiO2 (110) Promotes Water Activation and CO2 Chemisorption

Biochar-Terracotta Conductive Composites: New Design for Bioelectrochemical Systems

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Alkaline and Alkaline-Earth Ceramic Oxides for CO2 Capture, Separation and Subsequent Catalytic Chemical Conversion

Cited by 8 publications

References 175 publications

Alkaline earth metal oxide nanocluster modification of rutile TiO2 (110) promotes water activation and CO2 chemisorption

Alkaline earth metal oxide nanocluster modification of rutile TiO2 (110) promotes water activation and CO2 chemisorption

Alkaline Earth Metal Oxide Nanocluster Modification of Rutile TiO2 (110) Promotes Water Activation and CO2 Chemisorption

Biochar-Terracotta Conductive Composites: New Design for Bioelectrochemical Systems

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Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption

Alkaline earth metal oxide nanocluster modification of rutile TiO₂ (110) promotes water activation and CO₂ chemisorption