Article
Crystallography
Erlisa Baraj, Karel Ciahotny, Tomas Hlincik
Summary: The WGS reaction is a exothermic reaction used industrially for over a hundred years, now receiving attention as a way to produce environmentally acceptable hydrogen. Optimal catalysts are key for industrial scale applications, with new types being developed to improve on commonly used Fe- and Cu-based catalysts. Lab tests show that Cu-based catalysts perform well in a certain temperature range, while Co-based catalysts show good resistance to sulfur.
Article
Materials Science, Multidisciplinary
Alexander V. Smolin, Mikhail N. Mikhailov, Aleksey F. Gadzaov, Leonid M. Kustov
Summary: This study examines the correlation of rCO2 oxidation on polycrystalline Pt in H2CO3, identifying the mechanisms of the reaction using quantum chemical and DFT calculations. The energy parameters of rCO2 oxidation under open-circuit and electrochemical conditions show correspondence, indicating the stability of certain systems based on Pt-13.
Article
Chemistry, Applied
Shaohua Xie, Xing Zhang, Peng Xu, Braden Hatcher, Yuxi Liu, Lu Ma, Steven N. Ehrlich, Sampyo Hong, Fudong Liu
Summary: With ideal metal utilization efficiency and homogeneous active sites, single atom catalysts (SACs) have attracted extensive attention in heterogeneous catalysis field. In this study, the surface acidity of Pt SACs was tuned through modification with acidic WO3 and basic MgO. It was found that WO3 modified Pt/Al2O3 showed superior activity in methanol decomposition, while MgO modified Pt/Al2O3 performed better in CO oxidation under the reaction condition with H2O.
Article
Chemistry, Multidisciplinary
Xiaowen Yu, Egon Campos dos Santos, Jai White, German Salazar-Alvarez, Lars G. M. Pettersson, Ann Cornell, Mats Johnsson
Summary: A high-performance MoOx/Pt composite electrocatalyst for glycerol electrolysis in alkaline electrolytes is reported, showing excellent performance in both glycerol oxidation reaction (GOR) and hydrogen evolution reaction (HER). The MoOx nanosheets play an important role in the adsorption of glycerol molecules in GOR, the dissociation of water molecules in HER, and the strong electronic interaction with Pt.
Article
Chemistry, Multidisciplinary
Hee-Eun Kim, Jaehoon Kwon, Hyunjoo Lee
Summary: This article introduces methods to enhance the durability of proton exchange membrane fuel cells (PEMFCs) by minimizing the use of platinum (Pt) catalysts. By discussing catalysts used in reversal-tolerant anodes, selective anodes, and Pt-based nanoparticle catalysts encapsulated with carbon shells, as well as non-Pt group metal (PGM) catalysts in a membrane-electrode-assembly (MEA) setup, the article demonstrates the role of highly durable catalysts in transient and long-term operation.
Article
Chemistry, Applied
Sergey Lopatin, Andrey Elyshev, Andrey Zagoruiko
Summary: The article presents a prototype device based on structured microfiber catalysts for the combustion of liquid fuels and disposal of liquid toxic waste. The technology combines a two-stage approach to achieve optimal combustion mode and emissions practically free of toxic impurities.
Article
Electrochemistry
Alexander V. Smolin, Aleksey F. Gadzaov, Leonid M. Kustov
Summary: The relationship between the kinetics of the oxidation of adsorbed forms of reduced CO2 (rCO(2)) and the oscillating nature of the oxidation of rCO(2) on a Pt electrode surface was established, with reaction rate constants and transfer coefficients obtained. It was shown that the process proceeds in conditions close to the barrier-free regime. The possibility of OH center dot species participating in the oxidation reaction was confirmed.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Review
Engineering, Chemical
Jialin Song, Ziliang Wang, Xingxing Cheng, Xiuping Wang
Summary: This study reviews the state-of-art catalysts for NO reduction during coal combustion and discusses key steps in NO removal by CO, CH4, and H-2, as well as future prospects for improving catalyst performance.
Article
Chemistry, Organic
E. G. Chepaikin, G. N. Menchikova, S. I. Pomogailo
Summary: Variation in the nature of components in catalytic systems can influence the selectivity of propane oxidation reactions, leading to different product yields in different systems.
PETROLEUM CHEMISTRY
(2021)
Article
Energy & Fuels
Sebastian Prass, Leon Nerlich, Rajveer Singh, Andres O. Godoy, Jasna Jankovic, K. Andreas Friedrich, Nada Zamel
Summary: A silicon oxide thin film is coated on platinum on graphitized low surface area carbon (Pt/C) to enhance the tolerance of proton exchange membrane fuel cells towards carbon monoxide and hydrogen sulfide contamination. The SiO2 coating improves the performance of SiO2-Pt/C when operated with pure hydrogen fuel, but performs worse than Pt/C when operated with CO-contaminated fuel. The SiO2 coating extends the lifetime of SiO2-Pt/C when operated with H2S in the fuel.
Article
Chemistry, Physical
Mohammad Etesami, Shahram Mehdipour-Ataei, Anongnat Somwangthanaroj, Soorathep Kheawhom
Summary: The demand for clean and eco-friendly energy conversion devices is urgent due to strict environmental regulations and limited fossil-based fuel resources. Hydrogen proton exchange membrane fuel cells (PEMFCs) appear to meet these criteria. However, the practical applications of PEMFCs are greatly influenced by the scarcity and high cost of platinum (Pt) used as electrocatalysts, as well as the susceptibility of Pt to catalyst poisoning. Therefore, the development of alternative electrocatalysts that can replace Pt is of prime importance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Electrochemistry
Anastasiya Ruchets, Nils Donker, Jens Zosel, Daniela Schoenauer-Kamin, Ralf Moos, Ulrich Guth, Michael Mertig
Summary: CO detection with a dynamically operated SES at high temperatures shows high sensitivity and selectivity, while also being able to detect oxygen, nitrogen oxide, and hydrogen. These methods open up new possibilities for complex multiple gas analysis.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Yijing Liu, Le Lin, Liang Yu, Rentao Mu, Qiang Fu
Summary: The search for efficient non-noble-metal catalysts for selective oxidation reactions is important but often hampered due to controversial origin of the selectivity, especially for oxide-catalyzed reactions. In this study, high-pressure surface imaging techniques and theoretical calculations were used to identify spatially separated active sites for O-2 activation and H-2 adsorption on an ultrathin Mn3O4 surface, enabling selective oxidation of CO over H-2. The study sheds light on the atomic-level understanding of surface structure-dependent selective oxidation reactions on oxide catalysts.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
He Li, Xian Wang, Xue Gong, Cong Liu, Junjie Ge, Ping Song, Weilin Xu
Summary: A new catalyst Pt-C-AA, consisting of Pt single atoms and tiny Pt-4 clusters, has been developed with high activity, durability, and tolerance to CO and O-2. This catalyst is considered as an ideal catalyst for the hydrogen oxidation reaction due to its unique synergetic effect.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Hessamodin Nourbakhsh, Yasin Khani, Akbar Zamaniyan, Farzad Bahadoran
Summary: CeZr0.5GdO4 spinel particles are introduced as oxygen carriers for methane reforming and decomposition, showing high activity and stability for continuous production of hydrogen and carbon monoxide with minimal CO2 and H2O emissions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Elifkuebra Oezkan, Pascal Cop, Felix Benfer, Alexander Hofmann, Martin Votsmeier, Juan M. Guerra, Marcel Giar, Christian Heiliger, Herbert Over, Bernd M. Smarsly
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Applied
M. Bendrich, A. Scheuer, M. Votsmeier
Summary: The study compared a mechanistic model and a global model in predicting NOx conversion rates, with the mechanistic model showing better performance in colder cycles due to its consideration of nitrates. Both models performed similarly in hotter cycles as no ammonium nitrate accumulates at high temperatures. Despite the additional complexity in the mechanistic model, simulation times remained comparable. Additionally, a simple NH3 dosing strategy was found to increase NOx conversion rates, demonstrating the model's utility in optimizing catalyst potential during driving cycles.
Article
Engineering, Chemical
Igor Belot, David Vidal, Martin Votsmeier, Robert E. Hayes, Francois Bertrand
CHEMICAL ENGINEERING SCIENCE
(2020)
Article
Chemistry, Multidisciplinary
Elifkubra Oezkan, Felix Badaczewski, Pascal Cop, Sebastian Werner, Alexander Hofmann, Martin Votsmeier, Heinz Amenitsch, Bernd M. Smarsly
Article
Chemistry, Physical
Andreas M. Gaenzler, Benjamin Betz, Sina Baier-Stegmaier, Stephanie Belin, Valerie Briois, Martin Votsmeier, Maria Casapu
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Review
Chemistry, Physical
Abhaya K. Datye, Martin Votsmeier
Summary: This review discusses the use, synthesis routes, and materials of exhaust emissions catalysts, as well as the challenges faced in the field. New material concepts include single-atom catalysts, two-dimensional materials, three-dimensional structures, but they need to overcome various challenges before being applied to exhaust treatment in cars and trucks.
Article
Engineering, Chemical
Ileana M. Vega Mesquida, Ivan Cornejo, Petr Nikrityuk, Robert Greiner, Martin Votsmeier, Robert E. Hayes
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2020)
Article
Engineering, Environmental
Igor Belot, David Vidal, Robert Greiner, Martin Votsmeier, Robert E. Hayes, Francois Bertrand
Summary: The impact of catalyst distribution within the porous wall of a coated gasoline particulate filter on its catalytic performance is significant. Improvements in catalytic conversion and washcoat effectiveness are observed when the washcoat distribution is uniform, but the benefits are limited to the transitional regime.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Igor Belot, Yixun Sun, David Vidal, Martin Votsmeier, Philippe Causse, Francois Trochu, Francois Bertrand
Summary: The study proposes an experimental magnified twin approach based on kinematic similarity to characterize the permeability of printed magnified porous wall sections, presenting comparisons between numerical, semi-analytical, and experimental predictions on the impact of coating amount and degree of uniformity on wall permeability. Despite the sensitivity of permeability to pore space characteristics, a good agreement between simulations and experiments is reported, indicating the potential of the proposed method in porous media applications.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Elifkubra Ozkan, Alexander Hofmann, Martin Votsmeier, Wu Wang, Xiaohui Huang, Christian Kuebel, Felix Badaczewski, Kevin Turke, Sebastian Werner, Bernd M. Smarsly
Summary: This study investigated the pore structure of a mesoporous cerium oxide material, revealing that it maintains stable mesoporosity at high temperatures and has potential applications in high-temperature catalysis. Various characterization techniques were used to elucidate the structural evolution from heat treatment to aging, showing that the 3D spatial arrangement of primary particles plays a key role in the thermal stability of the hierarchical mesopore structure.
Article
Engineering, Chemical
Florian Maurer, Andreas Gaenzler, Patrick Lott, Benjamin Betz, Martin Votsmeier, Stephane Loridant, Philippe Vernoux, Vadim Murzin, Benjamin Bornmann, Ronald Frahm, Olaf Deutschmann, Maria Casapu, Jan-Dierk Grunwaldt
Summary: The study found that reductive pulse activation leads to an increase in overall catalyst activity and the generation of different particle size zones within the catalyst bed. Activation temperature and pulse length influence the noble metal particle size, and this activation method could potentially be applied to industrially relevant catalysts in the future.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Engineering, Chemical
Michelle Bendrich, Bastian Opitz, Alexander Scheuer, Robert E. Hayes, Martin Votsmeier
Summary: This paper compares the performance of two catalytic systems for removing nitrogen oxides from automotive exhaust using SCR through computational simulation. The results show that adding an ammonia slip catalyst can reduce slip and increase NOx conversion, with benefits for dealing with different dosing situations.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Engineering, Environmental
Xiangxiao Kong, Kerry Chen, Robert Greiner, Martin Votsmeier, Igor Belot, David Vidal, Francois Bertrand, Robert E. Hayes, Jason S. Olfert
Summary: Gasoline particulate filters (GPFs) are effective in reducing particle emissions from gasoline direct injection (GDI) engines. This study examined the filtration efficiency and pressure drop of three GPFs with different in-wall washcoat volumes, finding that filtration efficiency is influenced by particle size, soot loading, and space velocity. The results indicate that coated filters have the highest filtration efficiency at high levels of soot accumulation, but also come with a higher rate of pressure drop increase compared to bare filters.
EMISSION CONTROL SCIENCE AND TECHNOLOGY
(2021)
Article
Engineering, Chemical
Matthias Bonarens, Robert Greiner, Martin Votsmeier, David Vidal
Summary: An analytical model for the performance of clean polydisperse packed beds is derived based on classical packed bed filtration theory in this paper. The proposed model shows considerably better agreement with numerical simulation results compared to previous analytical models.
JOURNAL OF AEROSOL SCIENCE
(2022)
Article
Engineering, Chemical
Felix A. Doeppel, Martin Votsmeier
Summary: Machine learning can accelerate simulations of catalytic systems by interpolating precomputed solutions of rate equations. Interpolation quality is improved when reaction rates are mapped using logarithmic scaling. However, this method is limited to reaction systems that strictly maintain positive or negative source terms throughout the relevant conditions. A new approach is proposed to overcome this limitation by interpolating the forward and reverse rates of rate-determining reactions. The new method achieves higher accuracy compared to established approaches and outperforms spline interpolation in terms of interpolation time, storage space, and required training data.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Ming-Yi Chen, Ngoc Thanh Thuy Tran, Ahmed Abubakar Alao, Wen-Dung Hsu
Summary: This study demonstrates the significance of surface Pt atom arrangement for the efficiency of ORR in PEMFCs and reveals the correlation between Pt-Pt average distance and O2 dissociation barrier. Furthermore, the study discovers a robust correlation between the level of the catalyst's d-band center and O2 adsorption energy. High-entropy alloy substrates provide potential for controlling Pt arrangement and O2 dissociation barrier.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Eduardo C. Atayde Jr, Babasaheb M. Matsagar, Yu-Cheng Wang, Kevin C. -W. Wu
Summary: This study presents the first application of an acidic MOF, Sulfated MOF-808, in catalyzing the HAA reactions of furan oligomers for the production of biofuel precursors. The catalyst showed high yield, selectivity, and recyclability, making it versatile for different starting materials.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Maria do Carmo Rangel, Francieli Martins Mayer, Soraia Jesus de Oliveira, Sergio Gustavo Marchetti, Fabricio Luiz Faita, Doris Ruiz, Giovanni Saboia, Mariana Kieling Dagostini, Jonder Morais, Maria do Carmo Martins Alves
Summary: This study developed a new catalyst by investigating the effect of magnesium on the catalytic properties of hematite in ethylbenzene dehydrogenation. The catalyst showed important differences in activity, selectivity, and stability, making it a promising candidate for commercial applications.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Yanjun Li, Qian Wang, Hui Tian, Mingyuan Zhu, Yuanyuan Liu
Summary: A novel strategy using microwave-assisted precipitation was proposed to prepare defective CsH3PMo11VO40 catalyst for the oxidation of methacrolein to methacrylic acid. Microwave treatment accelerates crystallization, increases vanadyl species content, and forms defective Keggin structures, thereby enhancing the oxidation capacity of the catalyst.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Rajeshwari Athavale, Sailee Gardi, Fatima Choudhary, Dayanand Patil, Nandkishor Chandan, Paresh More
Summary: In this study, a novel acidic ionic liquid catalyst was prepared and used for the synthesis of bis-indolyl methane derivatives. The catalyst exhibited short reaction times, easy purification, and reusability.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Masatomo Hattori, Takato Hattori, Masakuni Ozawa
Summary: Cu-added gamma-Al2O3 catalysts were prepared with varying Cu loadings and the effects of copper oxidation states on catalytic activity were investigated. The results showed that the addition of copper increased the catalyst activity, but excessive copper loading decreased catalytic activity. XRD and TEM analysis indicated the formation of a solid solution of copper oxide species on the surface of gamma-Al2O3. XAS and TPR data demonstrated variations in copper oxidation states among the catalysts.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Liwei Fang, Shiyang Niu, Shengsen Wang, Yiqing Lu, Yuanhui Cheng
Summary: In this study, PtNi alloy on nitrogen-doped carbon and SnO2 dual-support was designed to modulate the metal-support interaction, resulting in improved catalytic activity and stability for oxygen reduction reaction. The SnO2/PtNi/NC catalyst exhibited a strongly coupled interface, enhanced electron transfer, and higher half-wave potential compared to PtNi/NC and commercial Pt/C.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Shohei Harada, Duanxing Li, Kenta Iyoki, Masaru Ogura
Summary: This study investigates the catalytic performance of a composite catalyst composed of ZnZrOX and H-zeolite for the hydrogenation of CO2. The deactivation of the composite catalyst is influenced by ion exchange of Zn2+ and/or coke, with their effects differing based on the zeolite structure. Separating the grains of the composite catalyst can prevent deactivation.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Laura Proano, Christopher W. Jones
Summary: In this study, NiGa alloy particles supported on CeO2, ZrO2, and ZrO2-CeO2 solid solutions were prepared and characterized. The nature of the support was found to have a significant influence on the catalyst's activity and selectivity, with the crystalline structure of ZrO2 having the greatest impact. Pure ZrO2 showed the highest methanol selectivity and CO2 conversion at high Zr:Ce ratios. In equimolar and Ce-rich conditions, basic sites and oxygen vacancies were found to be the key parameters affecting methanol production.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Liyan Zhang, Yinze Yang, Leilei Zhou, Fengyu Zhao, Haiyang Cheng
Summary: 1,6-Hexamethylenediamine was successfully synthesized via the reductive amination of 1,6-hexanediol using a Ru/PRL(x)-Al2O3 catalyst. The highly dispersed and anchored Ru species, formed by 1,10-phenanthroline (PRL), played a crucial role in the catalytic reaction. The formation of new acid-base pairs, electron deficient Ru species, and smaller nanoparticles contributed to the improved catalytic performances of the Ru/PRL-Al2O3 catalyst.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Anita Horvath, Miklos Nemeth, Andrea Beck, Gyorgy Safran, Valeria La Parola, Leonarda Francesca Liotta, Gregor Zerjav, Matevz Roskaric, Albin Pintar
Summary: This study investigates the catalytic and structural changes caused by the addition of 0.25 wt% indium in a 3% Ni/CeO2-Al2O3 catalyst prepared by impregnation method. The results show that the addition of indium can decrease the activity of the catalyst, but it improves its stability and reduces coking.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Ankush Kularkar, Vaibhav Vilas Khedekar, Sachin D. Chaudhari, Mudavath Ravi, Sadhana S. Rayalu, Penumaka Nagababu
Summary: Efficiently addressing the challenges of photocatalytic CO2 reduction to CH3OH is crucial. This study developed Zn-BTC MOF and its composites with CaIn2S4, achieving highly efficient and robust photocatalytic CO2 reduction to CH3OH under ambient conditions, using H2O2 as the hydrogen source. Among the composites, ZMCIS4 demonstrated excellent performance with a CH3OH evolution of 49100 μmol/g.cat and a quantum efficiency of approximately 78.41%. The enhanced performance was attributed to the production of nascent hydrogen atoms (H center dot) through the photo-splitting of H2O2 on the ZMCIS surface.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Dan Liu, Yudong Li, Chengyu Wang, Haiyue Yang, Rong Wang, Shujun Li, Xiaohui Yang
Summary: In this study, a self-supporting three-dimensional porous Co3O4 nanobelt array decorated on nickel foam (P-Co3O4 -NBA@NF) electrode with numerous active sites was successfully constructed for the oxidation of 5-Hydroxymethylfurfural (HMF) to 2,5-furan dicarboxylic acid (FDCA). The P-Co3O4 -NBA@NF electrode demonstrated high conversion efficiency, selectivity, and Faraday efficiency, as well as remarkable long-term stability. This research provides a promising electrocatalyst for biomass conversion.
APPLIED CATALYSIS A-GENERAL
(2024)
Article
Chemistry, Physical
Yimin Li, Enggah Kurniawan, Fumiya Sato, Takayoshi Hara, Yasuhiro Yamada, Satoshi Sato
Summary: In this study, several silica-alumina catalysts modified with Ag were examined for the dehydration of 1,3-butanediol to 1,3-butadiene. Among them, an amorphous silica-alumina catalyst (SAL-3) modified with Ag showed the highest improvement in catalytic activity and stability when operated in H2 flow. The generation of reversible acid sites was found to be the reason behind the enhanced activity and stability of this Ag/SAL-3 catalyst. The effects of various parameters on the catalytic activity of Ag/SAL-3, such as reaction temperature, contact time, Ag content, and carrier gas, were investigated.
APPLIED CATALYSIS A-GENERAL
(2024)
