Article
Chemistry, Multidisciplinary
Hui Wang, Qing Dong, Lu Lei, Shan Ji, Palanisamy Kannan, Palaniappan Subramanian, Amar Prasad Yadav
Summary: Structural engineering was used to tailor the active site quantity in nanostructured materials for fuel cell applications, in this study in particular Co nanoparticles were incorporated into 3D nitrogen-doped carbon tubes. The Co@NCNTs exhibited improved electrocatalytic activity and stability towards the electro-oxidation of hydrazine, making them a promising candidate for use in fuel cell applications.
Article
Chemistry, Physical
Hui Wang, Lei Lu, Palaniappan Subramanian, Shan Ji, Palanisamy Kannan
Summary: In this study, cobalt and iron-doped nickel hydroxide nanosheet arrays were grown on nickel foam surface via a one-step process, with the 0.03 mmol Co-doped Ni(OH)(2)/Ni foam electrode showing the lowest onset oxidation potential and enhanced electro-oxidation of urea. This research highlights the potential of Co-Ni(OH)(2)/Ni foam as a low-cost catalyst for urea electro-oxidation applications in fuel cell energy conversion.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Enrique A. Paredes-Salazar, Alfredo Calderon-Cardenas, Hamilton Varela
Summary: In this study, a microkinetic model was proposed for predicting the methanol electro-oxidation reaction on polycrystalline platinum. By comparing with experimental data, the model was able to successfully simulate the observed non-linear dynamics under galvanostatic conditions and reasonably predict the voltammetric profile. The microkinetic approach used in this research can be extrapolated to other electrocatalytic reactions, allowing for complementarity between experimental and computational simulations.
Article
Chemistry, Multidisciplinary
Yaser M. Asal, Ahmad M. Mohammad, Sayed S. Abd El Rehim, Islam M. Al-Akraa
Summary: This study investigates the formic acid electro-oxidation reaction on a Pd-Au co-electrodeposited binary catalyst. The Pd1-Au1 catalyst, with a Pd2+:Au3+ molar ratio of 1:1, exhibits the highest activity and stability.
JOURNAL OF SAUDI CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Mingfu Yu, Hong Sun, Tianyu Zhang, Qiang Li, Jie Li, Xiaochen Zhang
Summary: High-temperature proton exchange membrane fuel cells were found to be more usable than traditional low-temperature proton exchange membrane fuel cells. Research on the paths of proton and electron transfer in the membrane and gas diffusion layer can help optimize the flow field and operating parameters of the fuel cells.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Electrochemistry
Yaser M. Asal, Ahmad M. Mohammad, Sayed S. Abd El Rehim, Islam M. Al-Akraa
Summary: This study demonstrated the excellent electro-catalytic performance of a binary catalyst composed of Pd and Au nanoparticles for methanol electro-oxidation in an alkaline medium. The Pd(1)Au(0) catalyst showed the highest activity and stability among all tested catalysts.
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE
(2021)
Review
Chemistry, Physical
Saeed Sahebdelfar, Maryam Takht Ravanchi
Summary: The removal of CO from hydrogen derived from hydrocarbon and methanol can be achieved through various methods, such as pressure swing adsorption, membrane separation, selective methanation, and preferntial oxidation. Among them, PROX is considered the best method for small scale portable fuel processors due to its rapid reaction rate and mild operation conditions. Extensive research is being conducted to improve catalyst activity and expand the temperature range for the reaction.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Nanoscience & Nanotechnology
Nicholas A. Szaro, Salai Cheettu Ammal, Fanglin Chen, Andreas Heyden
Summary: The electrochemical oxidation of H-2 and CO fuels on the Ruddlesden-Popper layered perovskite material SrLaFeO(4-delta) (SLF) was investigated using density functional theory and microkinetic modeling techniques. The active site and limiting factors for fuel oxidation were identified using two different surface models. The results showed that H-2 oxidation had a higher turnover frequency compared to CO oxidation. Surface H2O/CO2 formation and desorption were identified as key rate-limiting and charge transfer steps. Doping the surface with Co was found to greatly enhance H-2 oxidation activity.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Soumodip Sur, Ritwik Mondal, Ravikumar Thimmappa, Sanchayita Mukhopadhyay, Musthafa Ottakam Thotiyl
Summary: The dual-ion gradient of OH-/H+ can be used as an electrical driving force for simultaneous electro-organic synthesis and hydrogen fuel production. This technology enables efficient conversion of biomass into organic compounds and hydrogen fuel at a low potential.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Sonke Goessling, Niklas Nickig, Matthias Bahr
Summary: The study focuses on the simulation-based investigation of a PEM fuel cell system with special emphasis on water management, using a detailed 2-D + 1-D stack model to ensure acceptable simulation times.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Electrochemistry
Yichun Xie, Zining Wang, Hui Wang, Lei Lu, Palaniappan Subramanian, Shan Ji, Palanisamy Kannan
Summary: In this study, a highly active catalyst for electro-oxidation of hydrazine was successfully fabricated by growing three-dimensional alpha-Co(OH)(2) thin-layered cactus-like nanostructures on Ni3S2 nanowires. The catalyst exhibited enhanced stability and catalytic activity due to the electron rich Ni active centers, larger electrochemically active surface area, higher electrical conductivity, and porous surface structure.
Article
Energy & Fuels
Shuodong Mi, Cheng Bao, Xin Lv
Summary: This article investigates the electrochemical co-oxidation mechanism of H2/CO hybrid fuel in solid oxide fuel cells (SOFC) through Reactive Force-Field (ReaxFF) reactive molecular dynamics (RMD) simulations. The study reveals that the presence of H2 enhances the conversion rate of CO, and oxygen vacancies have a significant effect on the oxidation of CO.
Article
Chemistry, Physical
Fangfang Ren, Zhiqing Zhang, Zhengyun Liang, Qian Shen, Yuqian Luan, Rong Xing, Zhenghao Fei, Yukou Du
Summary: In this paper, a nanofirework-like PtRu alloy catalyst was successfully synthesized and used for glycerol oxidation reaction in alkaline medium. The optimized Pt1Ru3 NFs catalyst showed improved activity and stability compared to Pt NFs, with a peak current density surpassing that of commercial Pt/C catalyst. This research provides important guidance for the design of advanced anode electrocatalysts for fuel cells.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Review
Chemistry, Physical
Nabi Ullah, Sami Ullah, Saraf Khan, Dariusz Guziejewski, Valentin Mirceski
Summary: Energy crisis is a significant issue in today's society and methanol electro-oxidation is a promising energy source. Recent studies have shown that Ni-based MOFs are favored as electrocatalytic materials for methanol oxidation. The synergy of Ni and Fe also exhibits excellent performance. Additionally, reducing the size of the materials and introducing carbon-based support can further enhance catalytic performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Humayra Begum, Mohammed M. Rahman, Mohammad A. Hasnat
Summary: A PtAuCo trimetallic electrode was prepared using a simple electrochemical deposition technique for investigating methanol electro-oxidation. The electrode exhibited higher stability and resistance to CO adsorption compared to conventional Pt and PtAu electrodes.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Zichen Wang, Jiacheng Sun, Jiye Li, Lang Wang, Zishun Li, Xiaorui Zheng, Liaoyong Wen
Summary: This paper proposes a method based on plasmonic symmetry protected-bound states in the continuum (SP-BIC) metasurfaces with out-of-plane architectures, which can achieve stable bound states even with large structural perturbations. The high-throughput fabrication is realized by using a binary-pore anodic aluminum oxide template technique. The desired out-of-plane architecture demonstrates a low detection limit for endotoxin, showing potential for biosensors and other applications.
Article
Chemistry, Physical
Tobias Franz, Georgios Papakonstantinou, Kai Sundmacher
Summary: This study investigates the hydrogen crossover in polymer electrolyte membrane electrolysis cells using a dynamic macroscopic 1-D through-plane model. The results show that transient overshoots in H2-in-O2 content occur at the anode side during down steps in current density, indicating that the membrane acts as short-term mass storage for dissolved hydrogen. Under certain conditions with high cathode mass transport limitations, the lower explosion limit of H2-in-O2 can be transiently exceeded. This research provides insights into transient hydrogen crossover phenomena and contributes to the dynamic model-based analysis of polymer electrolyte water electrolysis cells.
JOURNAL OF POWER SOURCES
(2023)
Article
Electrochemistry
Julian Kink, Martin Ise, Boris Bensmann, Richard Hanke-Rauschenbach
Summary: In this study, mechanical stresses and strains on the membrane in a proton exchange membrane water electrolysis stack were quantified using finite-element analysis. The effects of assembly, operation, and differential pressure on the membrane were evaluated, and it was found that varying the gap size between cell frame and porous transport layers could lead to buckling in the simulated membrane during swelling. These simulations can guide future cell designs to avoid membrane buckling and potential failures.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Electrochemistry
Oskar Weiland, Patrick Trinke, Boris Bensmann, Richard Hanke-Rauschenbach
Summary: This work examines water transport and ionic losses in bipolar membranes during water electrolysis. The experimental setup involves the splitting of water at the bipolar interface between an anion exchange membrane (AEM) and a cation exchange membrane (CEM), resulting in the transportation of ions (protons and hydroxide ions) to the electrodes and removal of water from both membranes through electro-osmotic drag. The study demonstrates the impact of water transport on polarization behavior and validates the effectiveness of reducing AEM or CEM thickness to enhance performance.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Electrochemistry
T. Krenz, O. Weiland, P. Trinke, L. Helmers, C. Eckert, B. Bensmann, R. Hanke-Rauschenbach
Summary: This study investigates temperature inhomogeneities and their impact on the performance of industrial-scale PEMWE stacks. Three temperature differences are examined: between the inlet and outlet, between cells in a stack, and between the cell's solid materials and the fluids. A validated stack model is used to quantify these temperature fields and their influences on current density distribution and cell voltages. Results show significant temperature differences and inhomogeneities, which affect the performance of the stack. Homogenizing temperature profiles through alternative operation methods is analyzed to improve stack utilization.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Electrochemistry
An Phuc Dam, Bassam Y. A. Abuthaher, Georgios Papakonstantinou, Kai Sundmacher
Summary: In this study, the absorption affinity of Iridium (Ir) dissolution products in both half-cell and membrane electrode assembly (MEA) setups was investigated using cation and anion exchange materials. It was found that the Ir species in half-cells are mainly cationic, while in MEA they appear mainly in anionic form. This difference is attributed to the transport conditions and migration driving force of Ir ions inside the catalyst layer. This understanding provides insights into the electrocatalytic stability of MEAs and the stability discrepancy compared to half-cells.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Engineering, Chemical
Zihao Wang, Teng Zhou, Kai Sundmacher
Summary: An efficient CAMPD approach is proposed for the simultaneous design of solvents and ED processes, using data-driven modeling strategy. ANN-based process models are trained to replace physical models, and optimization is performed to obtain optimal solvent properties and process parameters. Rigorous simulations are conducted to evaluate the performance of the optimal solvents and process parameters.
Article
Engineering, Chemical
Guzhong Chen, Zhen Song, Zhiwen Qi, Kai Sundmacher
Summary: This work presents a scalable and integrated machine learning framework for building quantitative structure-property relationship (QSPR) models. The framework integrates various steps such as molecular descriptor generation, feature engineering, model training, selection and ensembling, as well as model validation and timing. By ensembling multiple models and stacking them in multiple layers, the proposed framework achieves better predictive performance compared to existing methods. The effectiveness of the framework is demonstrated through case studies on flash point temperature, melting temperature, and octanol-water partition coefficients, using identical datasets.
Article
Engineering, Environmental
Karsten H. G. Raetze, Wieland Kortuz, Sabine Kirschtowski, Michael Jokiel, Christof Hamel, Kai Sundmacher
Summary: The transition toward green chemicals production requires new processes to handle sustainable feedstock. The homogeneously rhodium-catalyzed tandem hydroaminomethylation (HAM) is an example reaction of high interest. This work improves the existing mechanistic reaction kinetic model for 1-decene by adjusting the catalyst pre-equilibrium, investigating water influence, and re-estimating kinetic and inhibition parameters. This achieves accurate predictions under various operating conditions.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Andrea Maggi, Jens Bremer, Kai Sundmacher
Summary: The increasing share of renewable resources in energy transition scenarios necessitates the development of new methodologies for the design and operation of chemical production facilities. This study proposes a flexible and electric Power-to-Methanol process that can utilize unstable wind power generation as the energy source.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Zhen Song, Jiahui Chen, Hao Qin, Zhiwen Qi, Kai Sundmacher
Summary: Although eutectic solvents have been widely studied as sustainable process fluids, the prediction of eutectic formation is still challenging due to the lack of computational methods. In this study, the UNIFAC models were evaluated and extended to predict the solid-liquid equilibria of eutectic solvents. The models were validated using 25 eutectic systems composed of conventional components and further extended to include novel salt-component-related functional groups in 50 eutectic systems. The models were used for theoretical design and experimental validation of novel eutectic solvents.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Electrochemistry
Lena V. Buehre, Alexander J. Mcleod, Patrick Trinke, Boris Bensmann, Mareike Benecke, Omar E. Herrera, Walter Merida, Richard Hanke-Rauschenbach
Summary: This work introduces a platinum wire micro-reference electrode for recording electrochemical impedance spectra of both the anode and the cathode in a proton exchange membrane water electrolyzer. The electrode allows access to the protonic membrane potential outside the active area and enables analysis of kinetic parameters for anode and cathode reactions separately. However, the calculation of exact kinetic parameters is challenging due to a potentially asymmetric potential distribution. Qualitative analysis of potential distribution behavior over temperature, cell compression, and current density is also presented.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Electrochemistry
Julian Kink, Martin Ise, Boris Bensmann, Philipp Junker, Richard Hanke-Rauschenbach
Summary: This study investigates the structural mechanics of woven web reinforced membranes in proton exchange membrane water electrolysis (PEMWE) cells. Through experimental testing and simulation analysis, the study found that the used PEMWE cell setup has good mechanical membrane stability during normal operation, but large deformations occur when the gap size at the edge of the electrochemically active cell area exceeds 0.2 mm.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Green & Sustainable Science & Technology
Lukas Kistner, Astrid Bensmann, Christine Minke, Richard Hanke-Rauschenbach
Summary: The decarbonization of global ship traffic is a major challenge for the industry in the next few decades, and synthetic fuels are likely to be the key to achieving this goal. However, there is still no consensus on the best technology solution for this task. Different energy carriers, including hydrogen, ammonia, methanol, methane, and synthetic diesel, are being discussed for use in either internal combustion engines or fuel cells. To facilitate the selection process, a case study for the year 2030 is conducted to assess the economic performance of different power technologies and fuels under various ship mission characteristics. The study reveals that gaseous hydrogen, despite its low energy density, offers the lowest overall system costs for passages up to 21 days, depending on cost parameters.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2023)
Article
Energy & Fuels
Raphael Niepelt, Marlon Schlemminger, Dennis Bredemeier, Florian Peterssen, Clemens Lohr, Astrid Bensmann, Richard Hanke-Rauschenbach, Rolf Brendel
Summary: A fast and extensive build-up of green hydrogen production is essential for global energy transition. The article analyzes the impact of decreasing electrolyzer costs on the utilization of PV in wind-solar hybrid plants and the performance of pure solar hydrogen. It highlights the importance of considering technology development to avoid stranded assets in infrastructure building.
