A Possible Interpretation for the High Catalytic Activity of Heat-Treated Non-Precious Metal Nx/C Catalysts for O2 Reduction in Terms of Their Formal Potentials

2012 ◽  
Vol 15 (6) ◽  
pp. B90 ◽  
Author(s):  
José H. Zagal ◽  
Ingrid Ponce ◽  
Daniela Baez ◽  
Ricardo Venegas ◽  
Jorge Pavez ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Precious Metal ◽  
High Catalytic Activity ◽  
Heat Treated ◽  
O2 Reduction

scholarly journals An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

2020 ◽  
Author(s):  
Seoin Back ◽  
Jonggeol Na ◽  
Zachary Ulissi
Keyword(s):  
Catalytic Activity ◽  
Dft Calculations ◽  
Electrochemical Reduction ◽  
High Throughput ◽  
High Throughput Screening ◽  
Density Functional ◽  
H2o2 Production ◽  
High Catalytic Activity ◽  
Adsorption Sites ◽  
O2 Reduction

<div> <div> <div> <p>Electrochemical reduction of O2 provides a clean and decentralized pathway to produce H2O2 compared to the current energy-intensive anthraquinone process. As the electrochemical reduction of O2 proceeds via either two-electron or four-electron path- way, it is thus essential to control the selectivity as well as to maximize the catalytic activity. Siahrostami et al. demonstrated a novel approach to control the reaction pathway by optimizing an adsorption ensemble to tune adsorption sites of reaction intermediates, and identified Pt-Hg catalysts from density functional theory (DFT) calculations and experimentally validated this catalyst (Nat. Mater. 2013, 12, 1137). Inspired by this concept, in this work, we apply a state-of-the-art high-throughput screening to develop O2 reduction catalyst for selective H2O2 production. Starting from Materials Project database, we evaluate activity, selectivity and electrochemical stability. To efficiently perform the screening, we introduce an active motif based approach which pre-screens unpromising materials and only performs DFT calculations for promising materials, which significantly reduce the number of the required calculations. We not only provide a list of promising candidates identified by DFT calculations, but also suggest element species to achieve high catalytic activity or H2O2 selectivity for future experimental attempts. Finally, we discuss a strategy for efficient future high-throughput screening using a machine learning pipeline consisting of a non-linear dimension reduction and a density-based clustering. </p> </div> </div> </div>

scholarly journals An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

2020 ◽  
Author(s):  
Seoin Back ◽  
Jonggeol Na ◽  
Zachary Ulissi
Keyword(s):  
Catalytic Activity ◽  
Dft Calculations ◽  
Electrochemical Reduction ◽  
High Throughput ◽  
High Throughput Screening ◽  
Density Functional ◽  
H2o2 Production ◽  
High Catalytic Activity ◽  
Adsorption Sites ◽  
O2 Reduction

<div> <div> <div> <p>Electrochemical reduction of O2 provides a clean and decentralized pathway to produce H2O2 compared to the current energy-intensive anthraquinone process. As the electrochemical reduction of O2 proceeds via either two-electron or four-electron path- way, it is thus essential to control the selectivity as well as to maximize the catalytic activity. Siahrostami et al. demonstrated a novel approach to control the reaction pathway by optimizing an adsorption ensemble to tune adsorption sites of reaction intermediates, and identified Pt-Hg catalysts from density functional theory (DFT) calculations and experimentally validated this catalyst (Nat. Mater. 2013, 12, 1137). Inspired by this concept, in this work, we apply a state-of-the-art high-throughput screening to develop O2 reduction catalyst for selective H2O2 production. Starting from Materials Project database, we evaluate activity, selectivity and electrochemical stability. To efficiently perform the screening, we introduce an active motif based approach which pre-screens unpromising materials and only performs DFT calculations for promising materials, which significantly reduce the number of the required calculations. We not only provide a list of promising candidates identified by DFT calculations, but also suggest element species to achieve high catalytic activity or H2O2 selectivity for future experimental attempts. Finally, we discuss a strategy for efficient future high-throughput screening using a machine learning pipeline consisting of a non-linear dimension reduction and a density-based clustering. </p> </div> </div> </div>

Enhanced catalytic activity of low-Pt content nanocatalysts supported on hollow carbon spheres for the ORR in alkaline media

MRS Advances ◽  
2020 ◽  
Vol 5 (57-58) ◽  
pp. 2961-2972
Author(s):  
P.C. Meléndez-González ◽  
E. Garza-Duran ◽  
J.C. Martínez-Loyola ◽  
P. Quintana-Owen ◽  
I.L. Alonso-Lemus ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Anion Exchange ◽  
Average Particle Size ◽  
Synthesis Method ◽  
Alkaline Media ◽  
High Catalytic Activity ◽  
Average Particle ◽  
Carbon Spheres ◽  
Hollow Carbon ◽  
Hollow Carbon Spheres

In this work, low-Pt content nanocatalysts (≈ 5 wt. %) supported on Hollow Carbon Spheres (HCS) were synthesized by two routes: i) colloidal conventional polyol, and ii) surfactant-free Bromide Anion Exchange (BAE). The nanocatalysts were labelled as Pt/HCS-P and Pt/HCS-B for polyol and BAE, respectively. The physicochemical characterization of the nanocatalysts showed that by following both methods, a good control of chemical composition was achieved, obtaining in addition well dispersed nanoparticles of less than 3 nm TEM average particle size (d) on the HCS. Pt/HCS-B contained more Pt0 species than Pt/HCS-P, an effect of the synthesis method. In addition, the structure of the HCS remains more ordered after BAE synthesis, compared to polyol. Regarding the catalytic activity for the Oxygen Reduction Reaction (ORR) in 0.5 M KOH, Pt/HCS-P and Pt/HCS-B showed a similar performance in terms of current density (j) at 0.9 V vs. RHE than the benchmark commercial 20 wt. % Pt/C. However, Pt/HCS-P and Pt/HCS-B demonstrated a 6 and 5-fold increase in mass catalytic activity compared to Pt/C, respectively. A positive effect of the high specific surface area of the HCS and its interactions with metal nanoparticles and electrolyte, which promoted the mass transfer, increased the performance of Pt/HCS-P and Pt/HCS-B. The high catalytic activity showed by Pt/HCS-B and Pt/HCS-P for the ORR, even with a low-Pt content, make them promising cathode nanocatalysts for Anion Exchange Membrane Fuel Cells (AEMFC).

Ordered Intermetallic Nanoparticles with High Catalytic Activity Prepared by an Electrochemically Induced Phase Transformation

2019 ◽  
Author(s):  
Du Sun ◽  
yunfei wang ◽  
Kenneth Livi ◽  
chuhong wang ◽  
ruichun luo ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Diffusion Mechanism ◽  
Reduction Reaction ◽  
Atomic Scale ◽  
High Catalytic Activity ◽  
Ambient Conditions ◽  
Magnetic Devices ◽  
Disordered Alloys ◽  
Ordered Intermetallic ◽  
Intermetallic Nanoparticles

<div> <p>The synthesis of alloys with long range atomic scale ordering (ordered intermetallics) is an emerging field of nanochemistry. Ordered intermetallic nanoparticles are useful for a wide variety of applications such as catalysis, superconductors, and magnetic devices. However, the preparation of nanostructured ordered intermetallics is challenging in comparison to disordered alloys, hindering progress in materials development. We report a process for converting colloidally synthesized ordered intermetallic PdBi<sub>2</sub> to ordered intermetallic Pd<sub>3</sub>Bi nanoparticles under ambient conditions by an electrochemically induced phase transition. The low melting point of PdBi<sub>2</sub> corresponds to low vacancy formation energies which enables the facile removal of the Bi from the surface, while simultaneously enabling interdiffusion of the constituent atoms via a vacancy diffusion mechanism under ambient conditions. The resulting phase-converted ordered intermetallic Pd<sub>3</sub>Bi exhibits 11x and 3.5x higher mass activty and high methanol tolerance for the oxygen reduction reaction compared to Pt/C and Pd/C, respectively,which is the highest reported for a Pd-based catalyst, to the best of our knowledge. These results establish a key development in the synthesis of noble metal rich ordered intermetallic phases with high catalytic activity, and sets forth guidelines for the design of ordered intermetallic compounds under ambient conditions.</p> </div>

Nickel (II) and oxovanadium (IV) complexes supported on MCM-41 mesoporous and their application in catalytic selective sulfide and thiol oxidation

2020 ◽  
Vol 23 ◽  
Author(s):  
Mohsen Nikoorazm ◽  
Maryam Khanmoradi ◽  
Masoumeh Sayadian
Keyword(s):  
Catalytic Activity ◽  
Room Temperature ◽  
Sol Gel ◽  
Reaction Times ◽  
Significant Loss ◽  
Spectral Studies ◽  
High Catalytic Activity ◽  
Catalytic Systems ◽  
Solvent Free Conditions ◽  
Mcm 41

Introduction:: MCM-41 was synthesized using the sol-gel method. Then two new transition metal complexes of Nickel (II) and Vanadium (IV), were synthesized by immobilization of adenine (6-aminopurine) into MCM-41 mesoporous. The compounds have been characterized by XRD, TGA, SEM, AAS and FT-IR spectral studies. Using these catalysts provided an efficient and enantioselective procedure for oxidation of sulfides to sulfoxides and oxidative coupling of thiols to their corresponding disulfides using hydrogen peroxide at room temperature. Materials and Methods:: To a solution of sulfide or thiol (1 mmol) and H2O2 (5 mmol), a determined amount of the catalyst was added. The reaction mixture was stirred at room temperature for the specific time under solvent free conditions. The progress of the reaction was monitored by TLC using n-hexane: acetone (8:2). Afterwards, the catalyst was removed from the reaction mixture by centrifugation and, then, washed with dichloromethane in order to give the pure products. Results:: All the products were obtained in excellent yields and short reaction times indicating the high activity of the synthesized catalysts. Besides, the catalysts can be recovered and reused for several runs without significant loss in their catalytic activity. Conclusion:: These catalytic systems furnish the products very quickly with excellent yields and VO-6AP-MCM-41 shows high catalytic activity compared to Ni-6AP-MCM-41.

Mechanisms of methane decomposition and carbon species oxidation on the Pr0.42Sr0.6Co0.2Fe0.7Nb0.1O3−σ electrode with high catalytic activity

2015 ◽  
Vol 3 (45) ◽  
pp. 22816-22823 ◽  
Author(s):  
Peng Zhang ◽  
Guoqing Guan ◽  
Deni S. Khaerudini ◽  
Xiaogang Hao ◽  
Chunfeng Xue ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Carbon Deposition ◽  
Methane Decomposition ◽  
High Catalytic Activity ◽  
Carbon Species

Carbon deposition characteristics on PSCFN and Ni–YSZ due to thermal CH4 decomposition are investigated by using TPR technique.

scholarly journals Bio-Derived Catalysts: A Current Trend of Catalysts Used in Biodiesel Production

Catalysts ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 812
Author(s):  
Hoang Chinh Nguyen ◽  
My-Linh Nguyen ◽  
Chia-Hung Su ◽  
Hwai Chyuan Ong ◽  
Horng-Yi Juan ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Fossil Fuels ◽  
Current Trend ◽  
Biodiesel Production ◽  
High Catalytic Activity ◽  
Promising Alternative ◽  
Advantages And Disadvantages ◽  
Biodiesel Synthesis ◽  
Alkali Catalysts ◽  
A Current

Biodiesel is a promising alternative to fossil fuels and mainly produced from oils/fat through the (trans)esterification process. To enhance the reaction efficiency and simplify the production process, various catalysts have been introduced for biodiesel synthesis. Recently, the use of bio-derived catalysts has attracted more interest due to their high catalytic activity and ecofriendly properties. These catalysts include alkali catalysts, acid catalysts, and enzymes (biocatalysts), which are (bio)synthesized from various natural sources. This review summarizes the latest findings on these bio-derived catalysts, as well as their source and catalytic activity. The advantages and disadvantages of these catalysts are also discussed. These bio-based catalysts show a promising future and can be further used as a renewable catalyst for sustainable biodiesel production.

scholarly journals CO Oxidation Efficiency and Hysteresis Behavior over Mesoporous Pd/SiO2 Catalyst

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 131 ◽  
Author(s):  
Rola Mohammad Al Soubaihi ◽  
Khaled Mohammad Saoud ◽  
Myo Tay Zar Myint ◽  
Mats A. Göthelid ◽  
Joydeep Dutta
Keyword(s):  
Carbon Monoxide ◽  
Catalytic Activity ◽  
Co Oxidation ◽  
Active Sites ◽  
Bond Activation ◽  
Dissociative Adsorption ◽  
High Catalytic Activity ◽  
Good Catalytic Activity ◽  
Pretreatment Conditions ◽  
Oxidation Efficiency

Carbon monoxide (CO) oxidation is considered an important reaction in heterogeneous industrial catalysis and has been extensively studied. Pd supported on SiO2 aerogel catalysts exhibit good catalytic activity toward this reaction owing to their CO bond activation capability and thermal stability. Pd/SiO2 catalysts were investigated using carbon monoxide (CO) oxidation as a model reaction. The catalyst becomes active, and the conversion increases after the temperature reaches the ignition temperature (Tig). A normal hysteresis in carbon monoxide (CO) oxidation has been observed, where the catalysts continue to exhibit high catalytic activity (CO conversion remains at 100%) during the extinction even at temperatures lower than Tig. The catalyst was characterized using BET, TEM, XPS, TGA-DSC, and FTIR. In this work, the influence of pretreatment conditions and stability of the active sites on the catalytic activity and hysteresis is presented. The CO oxidation on the Pd/SiO2 catalyst has been attributed to the dissociative adsorption of molecular oxygen and the activation of the C-O bond, followed by diffusion of adsorbates at Tig to form CO2. Whereas, the hysteresis has been explained by the enhanced stability of the active site caused by thermal effects, pretreatment conditions, Pd-SiO2 support interaction, and PdO formation and decomposition.

scholarly journals Flower-Shaped C-Dots/Co3O4{111} Constructed with Dual-Reaction Centers for Enhancement of Fenton-Like Reaction Activity and Peroxymonosulfate Conversion to Sulfate Radical

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 135
Author(s):  
Zhibin Wen ◽  
Qianqian Zhu ◽  
Jiali Zhou ◽  
Shudi Zhao ◽  
Jinnan Wang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Active Site ◽  
High Surface ◽  
High Surface Area ◽  
Reaction Centers ◽  
Organic Radicals ◽  
The Other ◽  
High Catalytic Activity ◽  
High Adsorption ◽  
High Turnover

Novel flower-shaped C-dots/Co3O4{111} with dual-reaction centers were constructed to improve the Fenton-like reaction activity and peroxymonosulfate (PMS) conversion to sulfate radicals. Due to the exposure of a high surface area and Co3O4{111} facets, flower-shaped C-dots/Co3O4{111} could provide more Co(II) for PMS activation than traditional spherical Co3O4{110}. Meanwhile, PMS was preferred for adsorption on Co3O4{111} facets because of a high adsorption energy and thereby facilitated the electron transfer from Co(II) to PMS. More importantly, the Co–O–C linkage between C-dots and Co3O4{111} induced the formation of the dual-reaction center, which promoted the production of reactive organic radicals (R•). PMS could be directly reduced to SO4−• by R• over C-dots. On the other hand, electron transferred from R• to Co via Co–O–C linkage could accelerate the redox of Co(II)/(III), avoiding the invalid decomposition of PMS. Thus, C-dots doped on Co3O4{111} improved the PMS conversion rate to SO4−• over the single active site, resulting in high turnover numbers (TONs). In addition, TPR analysis indicated that the optimal content of C-dots doped on Co3O4{111} is 2.5%. More than 99% of antibiotics and dyes were degraded over C-dots/Co3O4{111} within 10 min. Even after six cycles, C-dots/Co3O4{111} still remained a high catalytic activity.

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