Article
Chemistry, Physical
Samantha Francis, Alexandre Boucher, Glenn Jones, Alberto Roldan
Summary: In this study, the digestion and growth mechanism of gold clusters on MgO surface were investigated using ab-initio calculations and microkinetic simulations. A unique cluster trend and the temperature range of presence of single atoms on the surface were identified.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Borna Zandkarimi, Patricia Poths, Anastassia N. Alexandrova
Summary: Size selection does not completely suppress Ostwald ripening of supported catalytic nanoparticles due to the presence of different geometric and electronic structures. A competing pathways theory has been proposed to describe the size-specific sintering behavior at the atomistic level.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Materials Science, Multidisciplinary
O. Tolga Gul
Summary: The formation and control of catalyst nanoparticles is crucial for reliable carbon nanotube growth. Catalyst reduction and high temperature annealing play key roles in determining the morphology of the CNPs, with a combination of both leading to CNP coarsening. A recipe involving low temperature catalyst reduction and high temperature annealing in an inert gas environment can help form uniform and dense CNPs, impacting the morphology of resulting CNTs.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Chemistry, Physical
Marco Bogar, Yurii Yakovlev, Daniel John Seale Sandbeck, Serhiy Cherevko, Iva Matolinova, Heinz Amenitsch, Ivan Khalakhan
Summary: The study investigates the morphological evolution of PtNi alloy catalysts, finding that Ni dissolution, particle coalescence, and Ostwald ripening all play a role in catalyst degradation. Results show that Ni dissolution is the primary driver of morphological evolution, with particle coalescence and Ostwald ripening becoming more significant over time.
Article
Chemistry, Physical
Ambroz Kregar, Matija Gatalo, Nik Maselj, Nejc Hodnik, Tomaz Katrasnik
Summary: Mathematical modelling is crucial for understanding the degradation of platinum-based carbon-supported catalysts in PEMFC, helping in the development of new materials and mitigation strategies, as well as improving the understanding of individual degradation mechanisms. According to the model, platinum dissolution and redeposition are strongly affected by temperature, being the main mechanism of particle growth at temperatures below 60 degrees C.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Physical
Fei Chen, Jiesen Guo, Dezhong Meng, Yuetong Wu, Ruijin Sun, Changchun Zhao
Summary: The elbaite/H2O2 system shows high efficiency, recyclability, and mainly degrades RhB through hydroxyl radicals, while also acting as a dye sorbent during the process.
Review
Materials Science, Multidisciplinary
Ashitha Gopinath, Lakshmi Pisharody, Amishi Popat, P. V. Nidheesh
Summary: This review discusses the application of various materials as catalyst supports, including activated carbon, biochar, and fibers. It introduces the advantages and optimum conditions of different catalysts. Alginate-based catalysts are easy to prepare and exhibit high degradation efficiency. Zeolite-based catalysts are structurally stable and perform well in successive cycles. Fiber-based supports have both catalytic and cathodic functions due to their flexibility and conductivity. Graphene and carbon nanotubes have highly stable and conductive properties, promoting electron transfer.
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Elena Colombo, Andrea Baricci, Andrea Bisello, Laure Guetaz, Andrea Casalegno
Summary: A long-term dynamic load cycle was performed on membrane electrode assemblies to evaluate the degradation mechanisms of Polymer Electrolyte Membrane Fuel Cell in real-world automotive operations. The study found that the air-inlet was the most susceptible to irreversible performance losses, while the middle region was the least affected. The cathode catalyst layer and membrane were found to age the most, with a decrease in platinum active surface area. The study also discussed the decay of ionomer in the catalyst layer and its effect on mass transport resistance.
JOURNAL OF POWER SOURCES
(2023)
Article
Chemistry, Multidisciplinary
Bogdan-Ovidiu Taranu, Stefan Danica Novaconi, Madalina Ivanovici, Joao Nuno Goncalves, Florina Stefania Rus
Summary: The hydrothermally obtained alpha-MnO2 nanowires were characterized with a tetragonal crystalline structure and narrow distributions in their dimensions. The calculated band gap for alpha-MnO2 was found to be 2.4 eV for the ferromagnetic case and 2.7 eV for the antiferromagnetic case. The electrochemical study revealed that the modified electrode with alpha-MnO2 had the highest electric double-layer capacitance. The photocatalytic activity of alpha-MnO2 was examined using the degradation rate of an organic dye under different conditions.
APPLIED SCIENCES-BASEL
(2022)
Article
Nanoscience & Nanotechnology
Peng Zhai, Laibao Zhang, David A. Cullen, Divakar R. Aireddy, Kunlun Ding
Summary: The study demonstrates that the inverse design of metal-zeolite interfaces constructed by area-selective atomic layer deposition can effectively steer the selectivity of metal catalysts, offering a potential solution for the fabrication of task-specific metal-zeolite interfaces.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Qi Zhao, Jinkai Wang, Xinghui Ai, Zhenghui Pan, Feng Xu, John Wang, Yanfeng Gao
Summary: This study successfully integrates electrochromic and electrochemical processes to create a multifunctional electro-chromic-chemical device capable of energy saving and storage. By using W17O47 nanowires and Zn2+ ion intercalation, the fabricated MED demonstrates excellent performance, showing promising potential for practical applications.
Article
Thermodynamics
Zunyan Hu, Liangfei Xu, Jianqiu Li, Qing Wang, Yangbin Shao, Xiaojing Chen, Wei Dai, Minggao Ouyang
Summary: The nonlinear, accelerated decline of fuel cells is difficult to detect early; corrosion leads to a decrease in the porosity of the catalyst layer, accelerating the decline in fuel cell performance.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Review
Environmental Sciences
Wenjing Chen, Danlian Huang, Cui Lai, Yukui Fu, Wenfang Chen, Haoyang Ye, Huan Yi, Bisheng Li, Ling Li, Fanzhi Qin, Hong Qin, Lei Qin
Summary: Advanced oxidation processes (AOPs), especially the heterogeneous electro-Fenton (EF) process, have been widely used for surface and groundwater pollution control. EF process has shown high catalytic performance, no generation of iron sludge, and good recyclability of catalyst. This review focuses on the current studies and applications of heterogeneous catalysts in EF process, with emphasis on the period from 2012 to 2022. The review covers two typical heterogeneous EF systems (solid catalysts and functionalized cathode catalysts) and their applications in organic contaminants degradation in water.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Engineering, Chemical
Mengxiang Ye, Chao Zhang, Zhenzhen Liu, Huaimeng Li, Zhen Fu, Haimin Zhang, Guozhong Wang, Yunxia Zhang
Summary: The conversion of e-waste into high-performance catalysts offers an economical solution for the degradation of bisphenol A (BPA). In this study, CuAu bimetallic catalysts were electro-codeposited on carbon cloth (CC) with waste central processing unit (CPU) leachate as the electrolyte. The resulting CuAu/CC composites were efficient electro-catalysts for the decontamination of BPA via the electro-Fenton process. The optimized CuAu/CC electrodes achieved 99.5% BPA removal and 64.2% total organic carbon (TOC) removal within 120 minutes.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
Chen Chen, Ying Li, Ruiyu Bao, Ling Yang, Mengmeng Cui, Shiyu Cheng, Jinxin Liu, Jianxin Xia, Hua Li
Summary: CuxO nanoarrays consisting of Cu2O and CuO were synthesized on a copper mesh surface through anodic oxidation. Characterization techniques including XRD, SEM, and XPS confirmed the formation of CuxO@Cu mesh electrodes. The composite electrode exhibited excellent H2O2 utilization efficiency and pollutant degradation rate in a photo-electro-Fenton catalytic system. The degradation efficiency of methylene blue was investigated under different processes, with the highest efficiency observed in the photo-electro-Fenton process.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Mechanical
Hamed Gholipour, Mohammad J. Kermani, Rahim Zamanian
Summary: A pore network model is developed for gas diffusion layer in the cathode side of polymer electrolyte membrane fuel cells, capturing the non-uniform water saturation distributions inside GDL and predicting the time evolution of oxygen concentration and water generation rate at catalyst layer. The local water blockages inflict an average of 38.8% loss on the produced limiting current of the fuel cell, with concentration overvoltages most pronounced in the under-rib region.
ACTA MECHANICA SINICA
(2021)
Article
Chemistry, Physical
M. Moein Jahromi, H. Heidary
Summary: The study proposes a new power management strategy (PMS) to enhance the durability of fuel cell vehicles (FCVs) such as Toyota Mirai. Results show that the proposed triple fuel cell stack configuration (TFSC) improves lifetime by 18.93% compared to single configuration while reducing stack costs by around 14%.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Thermodynamics
M. Moein-Jahromi, M. J. Kermani
Summary: This study introduces an innovative method to predict the performance degradation of PEM fuel cells under dynamic loads, utilizing a combination of computational fluid dynamics simulation and degradation model. Through multi-objective optimization, the cell power loss is minimized and initial cell power density is maximized, resulting in a significant enhancement in power density after load cycling.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Article
Engineering, Multidisciplinary
Ali Madadi, Mahdi Nili-Ahmadabadi, Mohammad Jafar Kermani
Summary: The study introduces an inverse design method called the ball spine algorithm for designing S-duct diffusers with special cross-sectional profiles, utilizing two types of special cross-section profiles to improve aerodynamic properties.
INVERSE PROBLEMS IN SCIENCE AND ENGINEERING
(2021)
Article
Chemistry, Physical
M. J. Kermani, M. Moein-Jahromi, M. R. Hasheminasab, L. Wei, J. Guo, F. M. Jiang
Summary: This study proposes using functionally graded porous material (FGPM) or variable-porosity metal-foam (VPMF) flow distributors to enhance the volumetric power density (VPD) of fuel cells. Comparative studies show that fuel cells with FGPM flow distributors provide over 80% enhancements in VPD compared to conventional setups. This research opens a new era in flow distributor design for fuel cells and provides important guidelines for manufacturing FGPM flow distributors.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Energy & Fuels
Hossein Rahmanian-Koushkaki, Saeed Rahmanian, Mahbod Moein-Jahromi, Kamaruzzaman Sopian
Summary: This study introduces a novel passive cooling heat sink for thermal regulation of concentrated photovoltaics (CPV) and improves its performance by embedding phase change material (PCM) in the metal foam. Different design parameters of the heat sink are considered, and a computational fluid dynamics simulation is used to analyze the heat transfer processes.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Thermodynamics
A. Hamrang, M. Abdollahzadeh, M. J. Kermani, S. M. Rahgoshay
Summary: This paper investigates the performance enhancement of polymer electrolyte membrane fuel cells by changing the outlet/inlet configuration of parallel-serpentine flow field. The results show that geometric changes in the channel outlets/inlets can amplify the effects of transverse over-rib convection, leading to improved oxygen concentration and liquid water saturation. The findings suggest that the serpentine-baffled configuration yields the highest net power, achieving a performance increase of 38.5% compared to the parallel-serpentine case. This study provides insights for optimizing fuel cell design and performance.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Green & Sustainable Science & Technology
Vahab Okati, Ali Jabari Moghadam, Mahmood Farzaneh-Gord, Mahbod Moein-Jahromi
Summary: This study comprehensively investigates the performance of direct contact membrane distillation (DCMD) through energy, exergy, economic, and environmental analyses. By developing a robust computational code in MATLAB software, the study provides one of the most comprehensive investigations on DCMD behavior in the literature. The results show that heat recovery heat exchangers significantly improve the system's operating conditions, with a 48.34% improvement in exergy efficiency when heat recovery is implemented. Moreover, economic and environmental analyses demonstrate that recovering wasted heat can reduce distillate water production costs and decrease CO2 emissions and energy consumption.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Thermodynamics
M. J. Kermani, M. Moein-Jahromi, M. R. Hasheminasab, F. Ebrahimi, L. Wei, J. Guo, F. M. Jiang
Summary: This study applies a recently developed functionally graded porous material (FGPM) model to foam-based flow-distributors (FFDs) in polymer electrolyte membrane fuel cells (PEM FCs). The results show a significant enhancement in the volumetric power density (VPD) of the FGPM-FFD cell compared to a conventional ribbed/channel parallel-serpentine (4-PS) structure. This enhancement is attributed to reductions in cell volume and increases in generated electrical power.
Article
Energy & Fuels
Bahar Amani, Mohammad Jafar Kermani, Fereidoun Sabetghadam
Summary: The use of indented flow channels can enhance the performance of Polymer Electrolyte Membrane Fuel Cells, especially when there is high mass diffusion resistance, operating pressures, and current densities. The study found that the binary mass diffusivity coefficient of the species plays a crucial role in determining the effectiveness of indented channels in improving cell performance.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Ali Khanafari, Aria Alasty, Mohammad Jafar Kermani, Saeed Asghari
Summary: This study proposes an algorithm for diagnosing moisture content issues in polymer electrolyte membrane fuel cells. The algorithm compares experimental and model outputs to determine flooding, dehydration, or normal status, and can diagnose over 50% of PEMFC faults in commercial applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Energy & Fuels
Abbas Moradi Bilondi, Fatemeh Bagherighajari, Mohammadmahdi Abdollahzadehsangroudi, Mohammad Jafar Kermani, Jose Carlos Pascoa
Summary: In this study, a computational fluid dynamic method is used to investigate the effects of using porous carbon inserts on the performance of proton exchange membrane fuel cells. The results show that the use of porous carbon inserts can significantly improve the performance of fuel cells, with increased energy conversion efficiency and higher power output.
Article
Thermodynamics
H. Gholipour, M. J. Kermani, R. Zamanian
Summary: The pore network model (PNM) is used to simulate water transport within the cathode side gas diffusion layer (GDL) of polymer electrolyte fuel cells (PEFCs). The study reveals that GDL thickness and current collector rib width have significant effects on water transport dynamics.
JOURNAL OF APPLIED FLUID MECHANICS
(2021)
Article
Chemistry, Physical
Tianyu Chen, Zhibin Lu, Guangjin Zeng, Yongmin Xie, Jie Xiao, Zhifeng Xu
Summary: The study introduces a high-performance LSGM electrolyte-supported tubular DC-SOFC stack for portable applications, which shows great potential in developing into high-performing, efficient, and environmentally friendly portable power sources for distributed applications.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Wenbin Tong, Yili Chen, Shijie Gong, Shaokun Zhu, Jie Tian, Jiaqian Qin, Wenyong Chen, Shuanghong Chen
Summary: In this study, a three-dimensional porous NiO interface layer with enhanced anode dynamics is fabricated, forming a Schottky contact with the zinc substrate, allowing rapid and uniform zinc plating both inside and below the interface layer. The resulting NiO@Zn exhibits exceptional stability and high capacity retention.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yafeng Bai, Kaidi Li, Liying Wang, Yang Gao, Xuesong Li, Xijia Yang, Wei Lu
Summary: In this study, a flexible zinc ion supercapacitor with gel electrolytes, porous alpha-MnO2@reduced graphene oxide cathode, and activated carbon/carbon cloth anode was developed. The device exhibits excellent electrochemical performance and stability, even at low temperatures, with a high cycle retention rate after 5000 cycles.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Anmol Jnawali, Matt D. R. Kok, Francesco Iacoviello, Daniel J. L. Brett, Paul R. Shearing
Summary: This article presents the results of a systematic study on the electrochemical performance and mechanical changes in two types of commercial batteries with different anode chemistry. The study reveals that the swelling of anode layers in batteries with silicon-based components causes deformations in the jelly roll structure, but the presence of a small percentage of silicon does not significantly impact the cycling performance of the cells within the relevant state-of-health range for electric vehicles (EVs). The research suggests that there is room for improving the cell capacities by increasing the silicon loading in composite anodes to meet the increasing demands on EVs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yohandys A. Zulueta, My Phuong Pham-Ho, Minh Tho Nguyen
Summary: Advanced atomistic simulations were used to study ion transport in the Na- and K-doped lithium disilicate Li2Si2O5. The results showed that Na and K doping significantly enhanced Li ion diffusion and conduction in the material.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Zongying Han, Hui Dong, Yanru Yang, Hao Yu, Zhibin Yang
Summary: An efficient phase inversion-impregnation approach is developed to fabricate BaO-decorated Ni8 mol% YSZ anode-supported tubular solid oxide fuel cells (SOFCs) with anti-coking properties. BaO nanoislands are successfully introduced inside the Ni-YSZ anode, leading to higher peak power densities and improved stability in methane fuel. Density functional theory calculations suggest that the loading of BaO nanoislands facilitates carbon elimination by capturing and dissociating H2O molecules to generate OH.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Suresh Mamidi, Dan Na, Baeksang Yoon, Henu Sharma, Anil D. Pathak, Kisor Kumar Sahu, Dae Young Lee, Cheul-Ro Lee, Inseok Seo
Summary: Li-CO2 batteries, which utilize CO2 and have a high energy density, are hindered in practical applications due to slow kinetics and safety hazards. This study introduces a stable and highly conductive ceramic-based solid electrolyte and a metal-organic framework catalyst to improve the safety and performance of Li-CO2 batteries. The optimized Li-CO2 cell shows outstanding specific capacity and cycle life, and the post-cycling analysis reveals the degradation mechanism of the electrodes. First-principles calculations based on density functional theory are also performed to understand the interactions between the catalyst and the host electrode. This research demonstrates the potential of MOF cathode catalyst for stable operation in Li-CO2 batteries.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Ganghua Xiang, Zhihuan Qiu, Huilong Fei, Zhigang Liu, Shuangfeng Yin, Yuen Wu
Summary: In this study, a CeFeOx-supported Pt single atoms and subnanometric clusters catalyst was developed, which exhibits enhanced catalytic activity and stability for the preferential oxidation of CO in H2-rich stream through synergistic effect.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Dimitrios Chatzogiannakis, Marcus Fehse, Maria Angeles Cabanero, Natalia Romano, Ashley Black, Damien Saurel, M. Rosa Palacin, Montse Casas-Cabanas
Summary: By coupling electrochemical testing to operando synchrotron based X-ray absorption and powder diffraction experiments, blended positive electrodes consisting of LiMn2O4 spinel (LMO) and layered LiNi0.5Mn0.3Co0.2O2 (NMC) were studied to understand their redox mechanism. It was found that blending NMC with LMO can enhance energy density at high rates, with the blend containing 25% LMO showing the best performance. Testing with a special electrochemical setup revealed that the effective current load on each blend component can vary significantly from the nominal rate and also changes with SoC. Operando studies allowed monitoring of the oxidation state evolution and changes in crystal structure, in line with the expected behavior of individual components considering their electrochemical current loads.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Chiara Cementon, Daniel Dewar, Thrinathreddy Ramireddy, Michael Brennan, Alexey M. Glushenkov
Summary: This Perspective discusses the specific power and power density of lithium-ion capacitors, highlighting the fact that their power characteristics are often underestimated. Through analysis, it is found that lithium-ion capacitors can usually achieve power densities superior to electrochemical supercapacitors, making them excellent alternatives to supercapacitors.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Weihao Wang, Hao Yu, Li Ma, Youquan Zhang, Yuejiao Chen, Libao Chen, Guichao Kuang, Liangjun Zhou, Weifeng Wei
Summary: This study achieved an improved electrolyte with excellent low-temperature and high-voltage performance by regulating the Li+ solvation structure and highly concentrating it. The electrolyte exhibited outstanding oxidation potential and high ionic conductivity under low temperature and high voltage conditions, providing a promising approach for the practical application of high-voltage LIBs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Martin Bures, Dan Gotz, Jiri Charvat, Milos Svoboda, Jaromir Pocedic, Juraj Kosek, Alexandr Zubov, Petr Mazur
Summary: Vanadium redox flow battery is a promising energy storage solution with long-term durability, non-flammability, and high overall efficiency. Researchers have developed a mathematical model to simulate the charge-discharge cycling of the battery, and found that hydraulic connection of electrolyte tanks is the most effective strategy to reduce capacity losses, achieving a 69% reduction.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
M. Rodriguez-Gomez, J. Campo, A. Orera, F. de La Fuente, J. Valenciano, H. Fricke, D. S. Hussey, Y. Chen, D. Yu, K. An, A. Larrea
Summary: In this study, we analysed the operando performance of industrial lead cells using neutron diffraction experiments. The experiments revealed the evolution of different phases in the positive electrode, showed significant inhomogeneity of phase distribution inside the electrode, and estimated the energy efficiency of the cells.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Jiawei Liu, Chenpeng Wang, Yue Yao, Hao Ye, Yinglong Liu, Yingli Liu, Xiaoru Xu, Zhicong Chen, Huazheng Yang, Gang Wu, Libin Lei, Chao Wang, Bo Liang
Summary: The study focuses on utilizing double conductive Ni-pads as anode collectors in micro-tubular solid oxide fuel cells. The simulation results show excellent performance and stability of DCNPs, and also highlight the potential applications in various fields.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yang Wang, Kangjie Zhou, Lang Cui, Jiabing Mei, Shengnan Li, Le Li, Wei Fan, Longsheng Zhang, Tianxi Liu
Summary: This study presents a polyimide sandwiched separator (s-PIF) for improving the cycling stability of Li-metal batteries. The s-PIF separator exhibits superior mechanical property, electrolyte adsorption/retention and ion conductivity, and enables dendrite-free Li plating/stripping process.
JOURNAL OF POWER SOURCES
(2024)