Review
Chemistry, Physical
Mohammad Hasibul Hasan, Ian T. McCrum
Summary: This article discusses the quantitative understanding of the effects of near-surface solvent on predictive catalyst and electrode design through the direct comparison between ab initio computational modeling and experimental measurements. It also provides a benchmark for different approximations and suggests improved modeling methodologies.
CURRENT OPINION IN ELECTROCHEMISTRY
(2022)
Article
Physics, Applied
Ti Xie, Qin Wang, Robert M. Wallace, Cheng Gong
Summary: Graphene sensors show promise in gas detection due to their excellent electrical properties and large surface-to-volume ratio. The response of graphene sensors to NO2 gas depends on the initial doping level, highlighting the importance of graphene conditions in sensor performance.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Peng Gao, Zonghang Liu, Fuchun Zhang
Summary: This study systematically solved the electronic structure of Li-doped g-C2N monolayer and evaluated its performance in hydrogen storage using DFT computational studies. The results showed that Li-doped g-C2N has high hydrogen storage capacity and its performance can be further enhanced through modifications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Peng Gao, Xihao Chen, Jiwen Li, Yue Wang, Ya Liao, Shichang Liao, Guangyu Zhu, Yuebin Tan, Fuqiang Zhai
Summary: Density functional theory calculations were used to investigate the electronic structure and hydrogen storage performance of aluminum-doped g-CN material. The results showed that the doped aluminum atoms form chemical bonds and transfer partial charge with pyridinic nitrogen atoms, enabling polarization of H2 molecules and their adsorption. Each supercell can accommodate up to 24 H2 molecules, with a hydrogen storage capacity of 6.15 wt%. The study demonstrates the potential of aluminum-doped g-CN material for efficient hydrogen storage.
Article
Chemistry, Multidisciplinary
Yonghyuk Lee, Christoph Scheurer, Karsten Reuter
Summary: The feasibility of encapsulating a cheap rutile-structured TiO2 core with coherent, monolayer-thin IrO2 or RuO2 films is assessed using first-principles density-functional theory (DFT) and ab initio thermodynamics. The results indicate that a wetting tendency is only obtained for some low-index facets under typical gas-phase synthesis conditions, and thermodynamic stability, particularly of lattice-matched RuO2 films, is indicated for more oxidizing conditions. Intriguingly, the calculations also predict an enhanced activity and stability of such epitaxial RuO2/TiO2 core-shell particles under OER operation.
Article
Biochemistry & Molecular Biology
Aleksandra Ziolkowska, Maciej Witwicki
Summary: In this study, the exchange interaction in semiquinonato copper(II) complexes is investigated using DFT, CASSCF, CASSCF/NEVPT2, and DDCI3 methods. The results show that the magnetic character of Cu(II)-semiquinone complexes is mainly determined by the relative position of the semiquinone ligand to the Cu(II) ion.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Chemistry, Multidisciplinary
Zirui Yan, Yaofang Zhang, Weimin Kang, Nanping Deng, Yingwen Pan, Wei Sun, Jian Ni, Xiaoying Kang
Summary: Gas sensors are vital in industry and daily life, and different types of sensors are developed for various situations. Titanium dioxide, with its outstanding properties and wide applications in fields such as dyes and photocatalysis, plays a significant role. Researchers are using modern computers to simulate and study sensors, opening up new possibilities for research. The combination of simulation and calculation helps to understand reaction mechanisms, improve gas sensor material design, and respond to different gas environments. This paper reviews the experimental and computational aspects of TiO2 and describes future research directions.
Article
Chemistry, Analytical
Jun Gu, Guolang Zhou, Linlin Chen, Xiaowei Li, Guiling Luo, Linjing Fan, Yanhong Chao, Haiyan Ji, Wenshuai Zhu
Summary: In this study, we designed octahedral LiMn2O4(LMO) with controllable particle size by adjusting the water/ethanol volume ratio of the precursor solution to improve its cycle stability and reduce Mn dissolution loss. The results showed that the cycle stability and lithium ion transport performance of LMO improved with increasing particle size. After 30 cycles, the Mn dissolution loss of B-LMO was only 0.187%, and the capacity remained at 86.9% of the initial value. The electrochemical lithium extraction system of B-LMO//Ag exhibited excellent lithium extraction performance, with a lithium extraction capacity of 20.6 mg/g and an energy consumption of 15.2 Wh/mol.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Masaki Fujikane, Shijo Nagao, Dariusz Chrobak, Toshiya Yokogawa, Roman Nowak
Summary: The research reveals that nanodeconfined GaN compressed along the M direction exhibits room-temperature plasticity, while the response along the C direction is quasi-brittle. First-principles bandgap calculations, nanomechanical tests, and ultrahigh-voltage transmission electron microscopy observations confirm the authenticity of the phenomenon. Molecular dynamics simulations demonstrate how this process occurs in C- and M-oriented GaN frustum, reflecting nanopillar crystals.
Article
Chemistry, Physical
Oleg Rubel, Thuy Nguyen Thanh Tran, Storm Gourley, Sriram Anand, Andrew Van Bommel, Brian D. Adams, Douglas G. Ivey, Drew Higgins
Summary: We present a refined Mn-Zn-H2O Pourbaix diagram relevant for Zn/MnO2 rechargeable cells, which helps to rationalize experimental observations and guide the selection of operating conditions for existing aqueous Zn/MnO2 rechargeable cells. The proposed Pourbaix diagram is validated through pH-dependent transformations of electrolytic manganese dioxide. The relation between electrochemical stability boundaries and operating conditions can also be used as a design criterion for future cathode materials in aqueous rechargeable batteries.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Quazi Shafayat Hossain, Shahran Ahmed, Sadiq Shahriyar Nishat, Md. Zarif Hossain, M. N. I. Khan, Tarique Hasan, Muhammad Shahriar Bashar, Mahmuda Hakim, Ishtiaque M. Syed, Khandker Saadat Hossain, Imtiaz Ahmed
Summary: In this study, a comprehensive density functional theory (DFT) based ab initio study of copper bismuth oxide (CuBi2O4) was conducted in combination with experimental observations. The results showed that the as-synthesized samples had high phase purity and similar particle sizes. The DFT derived phonon density of states and elastic tensor simulations confirmed the structural and dynamic stability of the material. The band gap underestimation was eliminated by tuning the U and the Hartree-Fock exact-exchange mixing parameter in hybrid functionals. The as-synthesized CuBi2O4 demonstrated high photocatalytic efficiency in degrading methylene blue dye.
Article
Chemistry, Organic
Henri Brunner, Masahiro Ikeshita, Takashi Tsuno
Summary: The study revealed that the rotation about the C-alpha-C' bond and the pyramidalization of the sp(2)-hybridized carbon atom are part of a common molecular motion, extending the analysis to various types of compounds. Scatter plots of psi/theta for individual structures showed wavelike patterns during a 360-degree rotation of Cβ about the C-alpha-C' bond, and the pyramidalization of the sp(2)-hybridized group can disrupt the planarity of phenyl rings. Density functional theory calculations confirmed the findings from the CSD search.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Electrochemistry
Jiping Zhao, Youlong Xu, Xiangdong Ding
Summary: In this study, an ab initio model considering the solvation effect was proposed to investigate the crystal orientation-dependent corrosion behavior of tantalum (Ta). The corrosion current density of different crystal surfaces was calculated based on the changes in electron transfer and energy during dissolution. The results were consistent with the XRD pattern and provided a theoretical basis for the electrochemical machining of Ta and the study of anodic dissolution behavior of other metals or alloys in solution.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Physical
K. L. Salcedo Rodriguez, J. J. Melo Quintero, C. E. Rodriguez Torres, L. Errico
Summary: In this study, the structural, electronic, magnetic, and hyperfine properties of two Fe-Al spinel oxides, FeAl2O4 and Fe2AlO4, were investigated using Density Functional Theory calculations. The calculations revealed the preference of Al ions for octahedral cationic sites and predicted both oxides to possess semiconductor nature. The lowest energy structure of FeAl2O4 was determined to be an antiferromagnetic normal spinel, while Fe2AlO4 exhibited a net magnetic moment. The results were validated through comparison with experimental Mossbauer data.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Arthur Hagopian, Marie-Liesse Doublet, Jean-Sebastien Filhol, Tobias Binninger
Summary: Computational studies of electrochemical interfaces based on density-functional theory are vital for energy conversion and storage research. The homogeneous background method simplifies charge calculations in DFT simulations, with an advanced version now eliminating the need for certain specifications, allowing for versatile applications. Results show excellent agreement between the advanced HBM and the Poisson-Boltzmann model for charged interfaces in high-dielectric-constant solvents.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Materials Science, Multidisciplinary
Karina M. Zaniolo, Sonia R. Biaggio, Joni A. Cirelli, Mariana A. Cominotte, Nerilso Bocchi, Romeu C. Rocha-Filho
Summary: Titanium and its alloys are widely used biomaterials in dental and orthopedic implant applications. Researchers have proposed a method to produce a TiO2 coating on titanium through micro-arc oxidation in a green electrolyte. The modified Ti surface exhibited enhanced bioactivity and improved performance in biological tests.
MATERIALS RESEARCH EXPRESS
(2022)
Article
Chemistry, Physical
Joao Pedro Silva, Kallyni Irikura, Sonia R. Biaggio, Nerilso Bocchi, Romeu C. Rocha-Filho
Summary: A rapid and facile microwave-assisted method coupled with mild mechanical treatment was used to obtain Mn3O4 with good properties as a supercapacitor material. Mn3O4 was synthesized through thermal decomposition of epsilon-MnO2 using microwave irradiation. The resulting Mn3O4 had a single phase structure after only 5 minutes of microwave heating. A mild mechanical treatment further increased the particle size and specific surface area of Mn3O4. Electrochemical tests showed that the Mn3O4 electrodes had good pseudocapacitive behavior and electrochemical stability.
Article
Chemistry, Physical
Daiane Piva B. Silva, Juliana Bruneli Falqueto, Nerilso Bocchi, Sonia R. Biaggio, Romeu C. Rocha-Filho
Summary: A new route for the synthesis of highly pure true nanoparticles of LiMn2O4 through microwave-assisted hydrothermal reaction using water-soluble reagents at low temperature and short reaction time is presented. The synthesized nanoparticles showed excellent chemical, structural, and promising electrochemical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Juliana B. Falqueto, Adam H. Clark, Ales Stefancic, Glen J. Smales, Carlos A. F. Vaz, Albert J. Schuler, Nerilso Bocchi, Mario El Kazzi
Summary: Li-rich nanoparticles of Li1+xMn2-xO4 doped with Al, Co, or Ni were successfully synthesized using a microwave-assisted hydrothermal route. Nanocrystallinity and cationic doping play an important role in improving the electrochemical performance, reducing charge-transfer resistance and achieving high capacity retention.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Isaac Sanchez-Montes, Jussara Carneiro Doerenkamp, Yeison Nunez-de la Rosa, Peter Hammer, Romeu C. Rocha-Filho, Jose M. Aquino
Summary: Proper treatment of water and wastewater is currently a major concern, and this study aims to synthesize, characterize, and use functionally modified graphitic carbon nitride to assess its performance in the oxidation of the herbicide tebuthiuron. The results show that complete oxidation of tebuthiuron is achieved under acidic conditions using hydrogen peroxide as the oxidant, producing carboxylic acids and nitrate ions as the main products.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Ricardo F. Brocenschi, Kallyni Irikura, Naihara Wachter, Greg M. Swain, Romeu C. Rocha-Filho
Summary: This study reports on the electropolishing of boron-doped diamond (BDD) electrodes in the presence of acetic and sulfuric acid. The electropolishing treatment resulted in a smoother diamond surface with reduced non-diamond carbon impurity content and increased surface oxygen content. The combination of electropolishing and cathodic pretreatment further decreased the surface oxygen content and improved the electrochemical reversibility and electron-transfer kinetics of the BDD electrodes. Electropolished BDD electrodes also exhibited a higher oxidation peak potential for ascorbic acid compared to as-received BDD electrodes, indicating a decrease in surface carbon-oxygen functional groups.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Leunam Fernandez-Izquierdo, Enzo Luigi Spera, Boris Duran, Ricardo Enrique Marotti, Enrique Ariel Dalchiele, Rodrigo del Rio, Samuel A. Hevia
Summary: This study investigates the effect of precursor-substrate distance on the performance of hematite nanocrystalline thin films grown by chemical vapor deposition for photoelectrochemical water splitting. The results show that the distance does not change the structure of the films but does affect their thickness. The maximum photocurrent value obtained is approximately 2.5 mA/cm(2).
Article
Polymer Science
Macarena Kroff, Samuel A. A. Hevia, James N. N. O'Shea, Izaskun Gil de Muro, Veronica Palomares, Teofilo Rojo, Rodrigo del Rio
Summary: In this study, a simple method was proposed to obtain lithium iron phosphate/carbon (LFP/C) composites with different types of nanocellulose (NC) as reducing agent and stabilizer. The addition of NC not only acted as a reducing agent for aqueous iron solutions, but also prevented particle agglomeration during hydrothermal synthesis. Among the different types of NC tested, cellulose nanofiber (CNF) derived carbon showed the best electrochemical response due to its homogeneous coating on the LFP surface. This method of preparing LFP/C using CNF is simple, rapid, and cost-effective, eliminating the need for unnecessary chemicals.
Article
Chemistry, Physical
Felipe Matamala-Troncoso, Cesar Saez-Navarrete, Jose Mejia-Lopez, Griselda Garcia, Jose Rebolledo-Oyarce, Cuong Ky Nguyen, Douglas R. MacFarlane, Mauricio Isaacs
Summary: The formation mechanism of Cu2O/TiO2 heterojunction was studied by electrochemically depositing Cu2O molecules on TiO2 nanoparticles. The experimental results, combined with theoretical calculations, revealed the initial steps of Cu2O molecule formation on TiO2 nanoparticles. It was found that the formation of a Cu2O nanowire-like network on the TiO2 nanoparticle matrix promotes charge transfer at the electrolyte/semiconductor interface, enhancing the electrode behavior.
SURFACES AND INTERFACES
(2023)
Article
Multidisciplinary Sciences
Ever A. Velasquez, Johann Mazo-Zuluaga, Jose Mejia-Lopez
Summary: This study discusses the magnetoresistance and magnetic properties of Ni-Fe bi-segmented cylindrical nanodots with different diameters and heights. The structural and magnetic relaxation effects are investigated using the density functional theory approach, and the magnetoresistance and magnetic behaviors are explored through atomistic simulations using the Fast Monte Carlo methodology. The convoluted magnetization reversal schemes are discussed based on the magnetic hysteresis and magnetoresistance signals, which are influenced by the size and shape effects induced by dipolar interactions and the interplay among exchange interactions.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Multidisciplinary Sciences
Jose Mejia-Lopez, Sinhue Lopez-Moreno, Johann Mazo-Zuluaga, Pricila Betbirai Romero-Vazquez, Jose Luis Moran-Lopez
Summary: An extensive study on isolated FeX2 (X = F, Cl, Br, I) nanowires using first-principles and atomistic Monte Carlo simulations is presented. The results show that these nanowires crystallize in anti-ferromagnetic arrangement and belong to the space group P42/mmc, making them potentially promising materials for applications such as lithium-ion batteries.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Chemistry, Multidisciplinary
Karina M. Zaniolo, Sonia R. Biaggio, Joni A. Cirelli, Mariana A. Cominotte, Nerilso Bocchi, Romeu C. Rocha-Filho, Clovis W. O. de Souza
Summary: Silver nanoparticles (AgNp) were deposited on porous TiO2 surfaces to provide antimicrobial activity, and the surfaces were coated with bioresorbable polymer for controlled release of silver ions while maintaining biocompatibility. The AgNp-containing surfaces showed antimicrobial activity against Staphylococcus aureus, with better results for surfaces without the polymer coating. However, all surfaces exhibited good biocompatibility and the polymer-coated surfaces promoted greater cell differentiation. The electrospun polymer fibers allowed controlled release of silver ions in a phosphate-buffered saline (PBS) medium.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
J. Mejia-Lopez, E. A. Velasquez, J. Mazo-Zuluaga
Summary: Based on many-body potentials, inertia tensors, and Density Functional Theory, a method is proposed to obtain the lowest energy states of any cluster system. The Pt6Cu6 cluster case is studied, revealing various isomers with significantly lower energy than the previously believed ground state. The oscillating behavior of global chemical descriptors, such as ionization potential, electron affinity, and chemical hardness, suggests higher deactivation rate by sintering processes and stronger adsorption of small molecules on higher energy isomers. The electronic, magnetic, anisotropy, vibrational, and thermal properties of these clusters are discussed, providing valuable information for future experiments and applications in catalysis, spintronics, molecular magnetism, and magnetic storage information.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Mei Gui Vanessa Wee, Amutha Chinnappan, Runxin Shang, Poh Seng Lee, Seeram Ramakrishna
Summary: Cooling processes, from residences to industries, require a lot of energy and are essential. This study introduces MIL-101(Cr), a new desiccant, to heat exchangers for more efficient cooling. By improving the synthesis method and using a special binder, the MIL-101(Cr)-coated heat exchanger shows improved water uptake capacity and lower regeneration temperature.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ao Zhen, Guanyu Zhang, Ao Wang, Feng Luo, Jiehua Li, Hong Tan, Zhen Li
Summary: In this study, a solvent-free microemulsion method was used to synthesize waterborne polyurethane (WPU) material with high retention of mechanical properties and satisfactory water absorption rates. The material showed excellent biocompatibility and has broad application potential in the field of biomedicine.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Wensong Ge, Rui Wang, Xiaoyang Zhu, Houchao Zhang, Luanfa Sun, Fei Wang, Hongke Li, Zhenghao Li, Xinyi Du, Huangyu Chen, Fan Zhang, Huifa Shi, Huiqiang Hu, Yongming Xi, Jiankang He, Liang Hu, Hongbo Lan
Summary: This paper reviews the research on the surface tension of eutectic gallium-indium alloys (EGaIn) in the field of stretchable electronics. It covers the principles of oxide layer formation, factors influencing surface tension, and methods for surface modification of liquid metals. The paper also discusses the applications of EGaIn surface modification in different fields and highlights the challenges still faced and the future outlook.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiang Song, Lianghao Jia, Zhengen Wei, Tao Xiang, Shaobing Zhou
Summary: This paper provides an overview of the application, preparation, and role of biomimetic structures in solar evaporators with improved evaporation rate and lifetime.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Wei Yuan, Qian Deng, Dong Pan, Xiang An, Canyang Zhao, Wenjun Su, Zhengmin He, Qiang Sun, Ran Ang
Summary: Optimizing the performance of n-type PbTe thermoelectric materials is crucial for practical applications. Dynamic doping has emerged as an effective method to improve the performance of n-type PbTe by optimizing the carrier concentration. This study demonstrates the significance of Mn alloying in enhancing the performance of Ag-doped n-type PbTe by creating a hierarchical structure to suppress thermal transport and improving the Seebeck coefficient.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Review
Chemistry, Physical
Xiaoyan Wang, Meiqi Geng, Shengjun Sun, Qian Xiang, Shiyuan Dong, Kai Dong, Yongchao Yao, Yan Wang, Yingchun Yang, Yongsong Luo, Dongdong Zheng, Qian Liu, Jianming Hu, Qian Wu, Xuping Sun, Bo Tang
Summary: This review provides a comprehensive analysis of the progress and challenges in the field of bifunctional electrocatalysts and efficient electrolyzers for seawater splitting. It summarizes recent advancements and proposes future perspectives for highly efficient bifunctional electrocatalysts and electrolyzers.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Jason K. Phong, Christopher B. Cooper, Lukas Michalek, Yangju Lin, Yuya Nishio, Yuran Shi, Huaxin Gong, Julian A. Vigil, Jan Ilavsky, Ivan Kuzmenko, Zhenan Bao
Summary: Dynamic block copolymers (DBCPs) combine the phase separation of traditional block copolymers with the supramolecular self-assembly of periodic dynamic polymers, resulting in the spontaneous self-assembly of high aspect ratio nanofibers with well-ordered PEG and PDMS domains. DBCPs with a periodic block sequence exhibit superior properties compared to those with a random sequence, including delayed onset of terminal flow and higher ionic conductivity values.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Hong Kyu Lee, Yasaswini Oruganti, Jonghyeon Lee, Seunghee Han, Jihan Kim, Dohyun Moon, Min Kim, Dae-Woon Lim, Hoi Ri Moon
Summary: This study reports the moisture-triggered proton-conductivity switching behavior in Zn5FDC MOFs induced by the presence and absence of coordinating solvents, which illustrates the significant role of coordinating solvents in conductivity variation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Bommaramoni Yadagiri, Sanjay Sandhu, Ashok Kumar Kaliamurthy, Francis Kwaku Asiam, Jongdeok Park, Appiagyei Ewusi Mensah, Jae-Joon Lee
Summary: The molecular engineering of the interface modulator between the perovskite and hole transporting material is crucial for achieving satisfactory performance and stability of perovskite solar cells. In this study, cruciform-shaped dual functional organic materials were employed as surface passivation and hole transporting interfacial layers in perovskite solar cells. The use of these materials significantly improved the power conversion efficiency of the solar cells.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Joaquin Martinez-Ortigosa, Reisel Millan, Jorge Simancas, Manuel Hernandez-Rodriguez, J. Alejandro Vidal-Moya, Jose L. Jorda, Charlotte Martineau-Corcos, Vincent Sarou-Kanian, Mercedes Boronat, Teresa Blasco, Fernando Rey
Summary: This study investigates the synthesis of all-silica RTH zeolites using triisopropyl(methyl)phosphonium as the organic SDA. The results show the formation of two distinct crystalline phases under different synthesis conditions, with fluoride bonding to different silicon sites. It demonstrates the possibility of controlling the placement of fluoride in RTH zeolites through synthesis conditions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Luyao Zheng, Cong Liu, Wenbiao Zhang, Boxu Gao, Tianlan Yan, Yahong Zhang, Xiaoming Cao, Qingsheng Gao, Yi Tang
Summary: This study successfully improves the efficiency and stability of water splitting by constructing a heterostructured electrocatalyst. The catalyst shows extraordinary performance and could offer an effective approach for the sustainable production of hydrogen.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Carlos A. Campos-Roldan, Raphael Chattot, Frederic Pailloux, Andrea Zitolo, Jacques Roziere, Deborah J. Jones, Sara Cavaliere
Summary: This study systematically evaluated the hydrogen evolution/oxidation reactions on a series of Pt-rare earth nanoalloys in alkaline media, and identified the effect of the lanthanide contraction. The experimental results revealed that the chemical nature of the rare earth modulates the adsorption and mobility of oxygenated-species, enhancing the kinetics of the reactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Sara Frank, Mads Folkjaer, Mads L. N. Nielsen, Melissa J. Marks, Henrik S. Jeppesen, Marcel Ceccato, Simon J. L. Billinge, Jacopo Catalano, Nina Lock
Summary: This study investigates the thermal decomposition of ZIF-67 and its correlation with structural evolution and electrocatalytic performance. The researchers used in situ X-ray absorption spectroscopy and total scattering techniques to analyze the process. They found that disorder emerges at lower temperatures and that extending the pyrolysis process can result in materials with superior electrochemical properties.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Zi-Yang Zhang, Hao Tian, Han Jiao, Xin Wang, Lei Bian, Yuan Liu, Nithima Khaorapapong, Yusuke Yamauchi, Zhong-Li Wang
Summary: By constructing Cu-0-Cu+-NH2 composite interfaces with the assistance of SiO2, the electrochemical CO2 reduction reaction (CO2RR) achieves high Faraday efficiency and current density for C2+ production, improving the productivity of carbon cycle.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)
Article
Chemistry, Physical
Ting Wang, Ruijuan Zhang, Pengda Zhai, Mingjie Li, Xinying Liu, Chaoxu Li
Summary: This study successfully exfoliated COFs using a simple electrochemical method, which resulted in improved photocatalytic performance for COFs and enriched the fabrication approach of COF exfoliation.
JOURNAL OF MATERIALS CHEMISTRY A
(2024)