Article
Chemistry, Physical
Lauren N. Walters, Emily L. Wang, James M. Rondinelli
Summary: This study introduces the maximum driving force (MDF) parameter as a descriptor for capturing the thermodynamic stability of aqueous surface scale formation. By calculating the maximum driving force, it can describe the aqueous corrosion trend of nickel thin films and account for subsurface oxidation behavior. This approach is important for understanding oxide formation on complex alloys.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Carlos Ocampo-Lopez, Alvaro Ospina-Sanjuan, Margarita Ramirez-Carmona, Leidy Rendon-Castrillon
Summary: The leaching processes for metals using organic substances represent a sustainable approach, and this study developed a mathematical model to estimate the thermodynamic stability of organic substances during the leaching process, with iron leaching with oxalic acid as a case study. The model resulted in a thermodynamic tool for predicting leaching processes.
Article
Thermodynamics
Minghui Xu, Valeri Smolenski, Qi Liu, Alena Novoselova, Kewei Jiang, Jing Yu, Jingyuan Liu, Rongrong Chen, Hongsen Zhang, Milin Zhang, Jun Wang
Summary: The study investigated the interaction of oxygen and cerium-free ions in molten 3LiCl-2KCl eutectic, determining the stable states of cerium compounds and their thermodynamic properties. The solubility constants of cerium oxychloride and oxide compounds were determined at different temperatures, and a Pourbaix diagram was drawn to summarize the properties of stable cerium species in the melt.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Review
Chemistry, Physical
Anna Ciotti, Max Garcia-Melchor
Summary: This article highlights the importance of assessing the resting state of electrocatalysts in electrocatalysis and discusses the method of constructing energy diagrams to achieve this. It also discusses the limitations of current models and the prospects for further developments in the field.
CURRENT OPINION IN ELECTROCHEMISTRY
(2023)
Article
Chemistry, Physical
Ziyang Sheng, Sihong Wang, Qu Jiang, Yuanman Ni, Chaoran Zhang, Ashfaq Ahmad, Fang Song
Summary: By correlating electrochemical response with structural evolution, we establish the link between catalyst deactivation and facet corrosion, revealing the detrimental effect of unstable facets with moderate activity on catalytic performance. This discovery provides new insights for controlling the activity and durability tradeoff of catalysts through facet engineering.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Analytical
Oxana V. Nipruk, Nikolay G. Chernorukov, Kseniya A. Klinshova, Maxim O. Bakhmetev, Olga N. Tumaeva, Il'ya D. Udalov
Summary: The chemical stability of uranyl vanadates A(I)VUO(6)center dot nH(2)O (A(I)-Li, Na (n = 2), K, Rb, Cs (n = 0)) in aqueous solutions was studied for the first time. It was found that the medium acidity had the largest influence on the compounds' state in heterogeneous aqueous-salt systems. The compounds were stable in the pH range of 0 - 2-11 - 14. Alkaline elements uranyl vanadates' solubility changes depending on the solution's acidity, with solubility increasing in acidic and basic media.
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
(2023)
Article
Mining & Mineral Processing
Isehaq Al-Nafai, K. Osseo-Asare
Summary: The stability relations of cerium and its species in the hydrometallurgical processing of bastnasite were investigated using Pourbaix diagrams. Different systems of Ce-(F)-(CO3)-(SO4)-(C2O4)-H2O were examined, and the stability domains for Ce species were determined at different pH values. The study revealed the decomposition behavior and stability regions of Ce compounds in various environments.
MINERAL PROCESSING AND EXTRACTIVE METALLURGY-TRANSACTIONS OF THE INSTITUTIONS OF MINING AND METALLURGY
(2022)
Article
Energy & Fuels
Jibo Zhang, Jay R. Winkler, Harry B. Gray, Bryan M. Hunter
Summary: This study discusses the active sites in nickel-iron water oxidation electrocatalysts, suggesting that iron is a likely candidate for highly active materials whereas nickel is likely not the active site for water oxidation electrocatalysis. The conclusion is supported by three-fold arguments based on electrochemical measurements.
Article
Thermodynamics
Luis Ruivo, Tiago Silva, Daniel Neves, Luis Tarelho, Jorge Frade
Summary: The aim of this study was to develop a graphical approach to support the operation of iron-based catalysts under gasification conditions. Experimental data and thermodynamic modelling were used to understand the dependence of catalyst performance on the thermochemical conditions of producer gas. The results suggest that controlled process parameters can enhance the tolerance of iron-based materials to deactivation and stabilize relevant active phases.
Article
Chemistry, Physical
Kourosh Razmgar, Mohammednoor Altarawneh, Ibukun Oluwoye, Nuseiba Altarawneh, Gamini Senanayake
Summary: This study investigates the stability and properties of niobium-doped ceria surfaces and reveals a stable Ce-Nb-O configuration with enhanced catalytic properties. The results provide valuable insights for fine-tuning the catalytic attributes of ceria-based materials.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Kalishankar Bhattacharyya, Corentin Poidevin, Alexander A. Auer
Summary: This study employs electronic structure methods to investigate the structure and reactivity of IrOx nanoparticle models as catalysts for the oxygen evolution reaction. The results show that the cluster's structural changes under electrochemical conditions are related to potential and pH, and the proton and electron transfer processes are influenced by pH. Evaluation of Ir oxidation states reveals variations at different potentials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Inorganic & Nuclear
Amanda L. Chown, Byron H. Farnum
Summary: The optimized hydrothermal synthesis of CuCrO2nanocrystals can limit the production of byproducts and result in a high-purity CuCrO2product. This material has a wide band gap and high conductivity, making it suitable for various heterojunction solar cells.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Karun K. Rao, Yungchieh Lai, Lan Zhou, Joel A. Haber, Michal Bajdich, John M. Gregoire
Summary: The article discusses the importance of the oxygen evolution reaction (OER) in sustainable energy technologies, highlighting differences in catalyst development in alkaline and acidic environments. It introduces a durability descriptor based on the d-electron count of metal elements for rapid catalyst screening and emphasizes the importance of a codesign approach for device-level guidance in catalyst development.
CHEMISTRY OF MATERIALS
(2022)
Article
Electrochemistry
Ana S. Dobrota, Natalia Skorodumova, Slavko Mentus, Igor A. Pasti
Summary: Single-atom catalysts (SACs) have seen significant development in various applications, particularly in electrocatalysis under harsh conditions. This study employs Density Functional Theory to analyze the thermodynamics of SACs with different metal atoms embedded in graphene, examining their activity, selectivity, and stability. The research also investigates the effects of adsorbed species on the active sites and the impact of the metal center state on the reactivity of the carbon lattice.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Andriy Taranovskyy, Janos J. Toman, Bence D. Gajdics, Zoltan Erdelyi
Summary: Determining binary phase diagrams for nanoparticles is challenging, with computer simulations revealing key reasons for this difficulty. Ambiguities in defining phase diagrams and compositions are highlighted, emphasizing the importance of careful investigation of simulation results in understanding the behavior of nanoparticle systems and the shape of phase diagrams. The methods used to determine phase compositions in nanoparticles significantly influence both experimentally and theoretically constructed phase diagrams.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Samane Maroufi, Sajjad S. Mofarah, Rasoul Khayyam Nekouei, Veena Sahajwalla
Summary: This study presents a three-step strategy for the high-yield fabrication of two value-added functional nanostructures through selective purification of REOs isolated from end-of-life Ni-MH batteries. The study also demonstrates the remarkable electrochemical performance and practical functionality of the fabricated nanostructures.
Article
Chemistry, Multidisciplinary
Yumatorn Mingmongkol, Dang Trung Tri Trinh, Patcharaporn Phuinthiang, Duangdao Channei, Khakhanang Ratananikom, Auppatham Nakaruk, Wilawan Khanitchaidecha
Summary: In this study, metal-doped titanium dioxide was synthesized to improve photocatalytic degradation and antimicrobial activities. The copper-doped TiO2 nanoparticles showed well-maintained anatase phase and a decreased band gap. The 0.1 wt.% Cu-doped TiO2 exhibited enhanced photocatalytic degradation and antibacterial ability, while the high Cu doping levels had negative impacts on surface charge and charge transfer.
Article
Chemistry, Multidisciplinary
Duangdao Channei, Natthamon Rodsawaeng, Panatda Jannoey, Wilawan Khanitchaidecha, Auppatham Nakaruk, Sukon Phanichphant
Summary: Bismuth vanadate/coconut fiber (BiVO4/CF) composites were successfully synthesized by coprecipitation and calcination methods, and fully characterized. The specific surface area increased and the band gap energy decreased in the composites, leading to a higher photocatalytic degradation rate compared to pristine BiVO4. The improved activity of the composites resulted from the combination of the adsorption performance of coconut fiber and the photocatalytic activity of BiVO4.
Article
Materials Science, Multidisciplinary
Jakkrit Tummachote, Metha Rutnakornpituk, Duangdao Channei, Filip Kielar, Boonjira Rutnakornpituk
Summary: Poly(dimethyl aminoethyl methacrylate) coated magnetite nanoparticles were successfully synthesized and used for bisphenol A (BPA) adsorption. The PDMAEMA@MNPs demonstrated higher BPA adsorption capacity compared to the quaternized form. Equilibrium, kinetic, and thermodynamic characteristics of BPA adsorption on PDMAEMA@MNPs were investigated, revealing that the adsorption process reached equilibrium quickly and followed Freundlich and pseudo-second order models. Thermodynamic analysis indicated an exothermic and spontaneous adsorption process.
JOURNAL OF METALS MATERIALS AND MINERALS
(2022)
Review
Chemistry, Multidisciplinary
Thibault De Villenoisy, Xiaoran Zheng, Vienna Wong, Sajjad S. Mofarah, Hamidreza Arandiyan, Yusuke Yamauchi, Pramod Koshy, Charles C. Sorrell
Summary: Materials derived from metal-organic frameworks (MOFs) have shown exceptional structural variety and complexity and can be synthesized using low-cost scalable methods. However, their inherent instability and low electrical conductivity limit their applications. MOF-derived metal-based derivatives (MDs) provide a superior alternative with higher stability and electrical conductivity, while retaining the complex nanostructures of MOFs. This work comprehensively reviews the synthesis and nanostructural design of MDs, aiming to identify the parameters for optimal compositions, structures, nanostructures, and performance, and provide a platform for designing and processing these materials for specific applications. The study is supported by figures summarizing reported approaches and a comprehensive tabular coverage of the studies.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yue Jiang, Cui Ying Toe, Sajjad S. Mofarah, Claudio Cazorla, Shery L. Y. Chang, Yanting Yin, Qi Zhang, Sean Lim, Yin Yao, Ruoming Tian, Yuan Wang, Tasmia Zaman, Hamidreza Arandiyan, Gunther G. Andersson, Jason Scott, Pramod Koshy, Danyang Wang, Charles C. Sorrell
Summary: This study demonstrates the potential of using defective BaTiO3-x nanoparticles for piezo-photocatalysis of seawater, showing a promising solution to the limitations of hydrogen production such as the need for purified water and external power. The material's piezoelectric activity was enhanced through a straightforward annealing process, leading to stable piezoelectric tetragonal domains. Experimental techniques revealed the effects of reduction on the energy band structure, confirming the significant piezoelectric effect and presence of self-polarization. Hydrogen evolution was characterized using different water sources, and the results showed a substantial hydrogen evolution rate for both deionized and natural seawater. This work provides new perspectives for large-scale green H2 production using readily available piezoelectric materials with abundant natural resources.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Inorganic & Nuclear
Duangdao Channei, Punyanuch Thammaacheep, Sutthichat Kerdphon, Panatda Jannoey, Wilawan Khanitchaidecha, Auppatham Nakaruk
Summary: Pd-doped BiVO4 with different amounts of palladium was synthesized successfully using a domestic microwave-assisted method in an aqueous medium. XPS spectra confirmed the presence of Pd2+ species in Pd-doped BiVO4, while the valence state of Bi was observed as Bi3+. Pd doping changed the phase structure of BiVO4 from tetragonal to monoclinic, resulting in a mixture of monoclinic and tetragonal phase in Pd-doped BiVO4.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Electrochemistry
Yueyue Luo, Xiaoran Zheng, Corey Venkata Vutukuri, Naomi Ho, Armand J. J. Atanacio, Madhura Manohar, Hamidreza Arandiyan, Yuan Wang, C. C. Sorrell, Sajjad S. Mofarah, Pramod Koshy
Summary: Non-enzymatic CeO2-based biosensors are an alternative to H2O2 enzymatic biosensing devices, offering improved sensibility, robustness, and shelf lives. The redox capability in CeO2 and rapid switching between its oxidation states facilitate the formation of structural vacancy defects that serve as active sites. This study presents a novel approach for synthesizing defect-rich CeO2-x-based nanoflakes through controllable low-temperature electrochemical deposition followed by low-energy ion implantation. The Mo-implanted CeO2-x nanoflakes exhibited exceptional sensitivity, high sensing stability, and electronic conductivity due to valence charge transfer and defect-induced midgap states.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Patcharaporn Phuinthiang, Yumatorn Mingmongkol, Duangdao Channei, Khakhanang Ratananikom, Wilawan Khanitchaidecha, Auppatham Nakaruk
Summary: A sol-gel method was used to synthesize Mn-doped TiO2 nanoparticles with different concentrations. The synthesized nanoparticles were characterized using XRD, XPS, TEM, and DRS. The results showed that Mn doping affected the phase composition, oxidation states of Mn, and morphology of the nanoparticles. The Mn-doped TiO2 0.2wt.% sample exhibited the highest photocatalytic activity for MB degradation and E. coli photokilling under visible light irradiation.
Article
Chemistry, Multidisciplinary
Yumatorn Mingmongkol, Assadang Polnok, Patcharaporn Phuinthiang, Duangdao Channei, Khakhanang Ratananikom, Auppatham Nakaruk, Wilawan Khanitchaidecha
Summary: In this study, the photocatalytic degradation of salbutamol under visible irradiation using Mn-doped TiO2 nanoparticles was investigated. The Mn-doped TiO2 nanoparticles were synthesized with different doping levels and their characteristics were analyzed. The results showed that 0.2% Mn-doped TiO2 had the narrowest band gap energy and highest salbutamol removal efficiency. The degradation pathways of salbutamol were proposed based on high-performance liquid chromatography-mass spectrometry analysis.
Article
Chemistry, Physical
Yu-Fu Tseng, Sajjad S. Mofarah, Xiaoran Zheng, Hamidreza Arandiyan, Yuan Wang, Roozbeh Abbasi, Yang Gao, Charles C. Sorrell, Pramod Koshy
Summary: In this study, ultrathin nanosheets of CeO2 and a graphene composite Ru-CeO2 were synthesized using modified electrodeposition technique. The materials showed high concentrations of defects and active sites, and exhibited high specific surface area and capacitance, indicating their potential for supercapacitor applications.
SURFACES AND INTERFACES
(2023)
Article
Materials Science, Biomaterials
Brenda Ah-Yan Leung, William Joe, Sajjad S. Mofarah, Charles C. Sorrell, Roozbeh Abbasi, Mohsen Azadeh, Joseph A. Arsecularatne, Pramod Koshy
Summary: This study investigates the degradation behavior of dental resin composites in simulated oral environments. The mechanical and morphological properties of the composites were examined using hardness testing and SEM imaging. Qualitative analyses of the leached ions and theoretical studies on the stability of inorganic fillers were conducted. The study proposes a mechanism for composite leaching and demonstrates the formation of calcified layers on the composite surface. These findings contribute to the development of more durable and resistant composite materials, particularly for patients with gastroesophageal reflux.
JOURNAL OF MATERIALS CHEMISTRY B
(2023)
Article
Materials Science, Coatings & Films
Patcharaporn Phuinthiang, Duangdao Channei, Khakhanang Ratananikom, Auppatham Nakaruk, Wilawan Khanitchaidecha
Summary: This study aimed to enhance surface properties of four common food packaging materials (PVC, PS, PET, PVDC) by applying a TiO2 nano thin film coating. Physical and chemical analyses confirmed a well-defined anatase phase film. PET exhibited the highest antibacterial activity, followed by PVDC, PS, and PVC. The TiO2-coated substrates effectively inhibited bacteria growth, extending the shelf life of food products.
SURFACE ENGINEERING
(2023)
Review
Chemistry, Physical
Pengcheng Mao, Hamidreza Arandiyan, Sajjad S. Mofarah, Pramod Koshy, Cristina Pozo-Gonzalo, Runguo Zheng, Zhiyuan Wang, Yuan Wang, Suresh K. Bhargava, Hongyu Sun, Zongping Shao, Yanguo Liu
Summary: Rechargeable sodium-air batteries have gained extensive attention and developed rapidly in recent years for electrochemical energy storage applications due to their low costs, abundance of precursor resources, and high energy density. However, challenges such as poor charge-discharge reversibility at the cathode and the formation of sodium dendrites at the anode still need to be addressed. Therefore, designing efficient and stable air cathode materials is crucial for the development and practical application of sodium-air batteries.
Article
Green & Sustainable Science & Technology
Rasoul Khayyam Nekouei, Sajjad S. Mofarah, Samane Maroufi, Wei Wang, Irshad Mansuri, Veena Sahajwalla
Summary: A sustainable and green strategy was established to fabricate activated carbon (AC) materials with designed microstructures, and an optimized pathway toward the fabrication of symmetric supercapacitors (SCs) was provided.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2022)