Article
Astronomy & Astrophysics
K. -F. Lai, D. Manalili, W. Ubachs, R. Cooke, M. Pettini, N. de Oliveira, E. J. Salumbides
Summary: A spectroscopic study of atomic oxygen (O i) was conducted to obtain a dataset of transition frequencies and level energies. The results showed good agreement with low energy levels and low principal quantum numbers, but significant deviations for high energy levels and high principal quantum numbers. This dataset is valuable for studying absorption in the line of sight to distant quasars.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
(2022)
Article
Chemistry, Multidisciplinary
Aoi Takeuchi, Hiroaki Itoh, Masayuki Inoue
Summary: A new method for microscale stereochemical determination of peptidic natural products was developed and tested using gramicidin A as a blind test molecule. The high reliability of the strategy was confirmed by successfully selecting the parent gramicidin A from among 32 stereoisomers.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Chemistry, Physical
Anna V. Khodimchuk, Dmitriy M. Zakharov, Nikita A. Shevyrev, Andrei S. Farlenkov, Nikolai A. Zhuravlev, Tatyana A. Denisova, Maxim V. Ananyev
Summary: The study investigated the oxygen surface kinetics and mechanisms of oxygen interaction with yttria-stabilised zirconia nano-sized powder in dry and humid oxygen atmospheres. It was found that the presence of water in the atmosphere decreases the heterogeneous oxygen exchange rate, and differences in isotopic exchange mechanisms were observed between dry and humid atmospheres.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Geochemistry & Geophysics
Crayton J. Yapp
Summary: This study investigates the isotope fractionation effects of oxygen and hydrogen in goethite synthesized under low and high pH conditions, and their relationships with pH and temperature. The study finds that there are differences in the effects of pH and temperature on 18agt-w, which may be attributed to the distinct exchangeabilities of transitional Fe(III) hydroxides on the growing surfaces of goethite. These findings are important for interpreting the isotope values of goethite in paleoenvironmental studies.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2022)
Article
Physics, Nuclear
Y. Huang, J. T. Zhang, Y. Kuang, J. Geng, X. L. Tu, K. Yue, W. H. Long, Z. P. Li
Summary: The fundamental properties of doubly-magic nuclei, including radius and binding energy, have essential significance in theoretical calculations. The matter radii of O-16 have shown a significant discrepancy, especially those obtained from interaction cross sections. To address this issue, the small-angle differential cross sections of proton-nuclei elastic scattering in the energy range of 200-700 MeV were reanalyzed using the Glauber model. A precise matter radius of 2.554(20) fm for O-16 was determined. The calculated neutron skin thicknesses of O-16, obtained through different interactions, were found to be independent of symmetry energy and consistent with our results.
EUROPEAN PHYSICAL JOURNAL A
(2023)
Article
Chemistry, Physical
Natalia M. Porotnikova, Maxim I. Vlasov, Yuri Zhukov, Christian Kirschfeld, Anna V. Khodimchuk, Edhem Kh. Kurumchin, Andrey S. Farlenkov, Anton V. Khrustov, Maxim V. Ananyev
Summary: La2Mo2O9 and La-2(MoO4)(3) powders were synthesized using a solid-state reaction method and used to prepare dense ceramics. X-ray photoelectron spectroscopy was utilized to study the chemical composition and charge numbers of elements in the subsurface of lanthanum molybdates. The kinetics of oxygen exchange were analyzed in a two-step model, calculating the rates of oxygen adsorption and incorporation, and discussing correlations with oxide surface defect chemistry.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Biochemical Research Methods
Ling-Fei Kong, Yu-Nan Chen, Pan Yan, Tuo Qin, Xin-Tang Wang, Rui-Qi Li, Xiao-Juan Rong, Cai Tie
Summary: Natural bioactive compounds (NBCs) are important for medical applications, but the lack of commercial isotopic labeled standards has limited their quantitation reliability in bio-samples. This study optimized a 16O/18O exchange reaction for preparing stable and affordable 18O-labeled standards. The use of 18O-labeled internal standards improved the accuracy and precision of NBCs quantitation in pharmacokinetics analysis, providing a reliable strategy for pharmaceutical research with NBCs.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(2023)
Article
Chemistry, Physical
Srikanth Korutla, Gregoire Guillon, Pascal Honvault, Tammineni Rajagopala Rao
Summary: The rotational-state resolved integral cross sections and differential cross sections for 18O + 16O16O and 16O + 18O18O reactions were reported, obtained using a time-independent quantum mechanical method on an ab initio potential energy surface of ozone. The isotopic effects were discussed and the results were compared with earlier experimental and theoretical results from the literature.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Biochemical Research Methods
Marine Tournois, Stephane Mathe, Isabelle Andre, Maria A. Fernandez
Summary: The study investigated the influence of protein charge distribution on adsorption capacity using all-atom Molecular Dynamics simulations. The results showed that charge distribution is relevant for understanding specific phenomena, such as multilayer adsorption. MD simulations were found to be an interesting way to visualize and highlight these behaviors.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Meteorology & Atmospheric Sciences
D. Zannoni, H. C. Steen-Larsen, A. J. Peters, S. Wahl, H. Sodemann, A. E. Sveinbjornsdottir
Summary: In this study, water vapor isotopic observations were collected from the northwest Atlantic Ocean to estimate the nonequilibrium fractionation factors for ocean evaporation and their dependence on wind speed. The results show that the sensitivity of these fractionation factors to wind speed is small, and there is no empirical evidence for a discontinuity between smooth and rough wind speed regimes during isotopic fractionation. The findings are in agreement with observations over the Atlantic Ocean.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2022)
Article
Physics, Nuclear
S. Calabrese, M. Cavallaro, D. Carbone, F. Cappuzzello, C. Agodi, S. Burrello, G. De Gregorio, J. L. Ferreira, A. Gargano, O. Sgouros, L. Acosta, P. Amador-Valenzuela, J. I. Bellone, T. Borello-Lewin, G. A. Brischetto, D. Calvo, V. Capirossi, E. R. Chavez Lomeli, I. Ciraldo, M. Colonna, F. Delaunay, H. Djapo, C. Eke, P. Finocchiaro, S. Firat, M. Fisichella, A. Foti, M. A. Guazzelli, A. Hacisalihoglu, F. Iazzi, L. La Fauci, J. A. Lay, R. Linares, J. Lubian, N. H. Medina, M. Moralles, J. R. B. Oliveira, A. Pakou, L. Pandola, H. Petrascu, F. Pinna, G. Russo, S. O. Solakci, V. Soukeras, G. Souliotis, A. Spatafora, D. Torresi, S. Tudisco, A. Yildirim, V. A. B. Zagatto
Summary: Nucleon transfer reactions, when combined with modern microscopic calculations and precise experimental data, provide a reliable method for testing different reaction models and nuclear structure descriptions. The study successfully validates theoretical calculations against experimental data for single nucleon transfer reactions, showing good agreement without the need for scaling factors. Furthermore, the results demonstrate a weak dependence on reaction models under the present experimental conditions.
Article
Chemistry, Physical
Wei Du, Yajun Yang, Liang Hu, Bokun Chang, Gang Cao, Mubasher Nasir, Jialong Lv
Summary: This study investigated the evolution of surface properties of bentonite clay under different pH conditions, revealing that the surface potential, surface electric field strength, and surface charge numbers of bentonite are influenced by pH variations. The results showed that the surface potential of bentonite is considerably negative and more sensitive to pH changes, while the surface electric field strength and surface charge numbers are inversely proportional to hydrogen ion concentrations at multiple pH settings.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Geochemistry & Geophysics
Fernando Gazquez, David A. Hodell
Summary: Early investigations on stable isotopes of gypsum hydration water suggested that its isotopic composition could be altered soon after precipitation. This study investigates the long-term stability of gypsum hydration water in contact with solution at different temperatures and grain sizes. The results show that at low temperature, the isotopic composition of gypsum hydration water remains stable over time, while at high temperature and with fine-grained gypsum crystals, the isotopic composition continues to change.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2022)
Article
Engineering, Chemical
David Kitto, Jovan Kamcev
Summary: Ion-exchange membranes (IEMs) play a crucial role in electrochemical membrane-based technologies. The charge and water content of IEMs significantly affect their performance. Most IEMs currently have low charge densities, which limit their performance. Design strategies for next-generation IEMs with higher charge densities are proposed.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Physics, Multidisciplinary
Xiao-Xia Wang, Kun Wang, Yi-Geng Peng, Chun-Hua Liu, Ling Liu, Yong Wu, Heinz-Peter Liebermann, Robert J. Buenker, Yi-Zhi Qu
Summary: The single- and double-electron capture processes of He2+ ions colliding with Ne atoms were studied using the full quantum-mechanical molecular-orbital close-coupling method. The results showed that the SEC cross sections initially decrease and then increase with collision energies, while the DEC cross sections are smaller due to larger energy gaps. The DEC cross sections increase with increasing impact energies due to the Demkov-type couplings between different channels.
CHINESE PHYSICS LETTERS
(2021)
Article
Instruments & Instrumentation
M. Niania, M. Sharpe, R. Webb, J. A. Kilner
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
(2020)
Article
Multidisciplinary Sciences
Navaratnarajah Kuganathan, Michael J. D. Rushton, Robin W. Grimes, John A. Kilner, Evangelos I. Gkanas, Alexander Chroneos
Summary: Atomistic simulation methods show that the most favourable disorder process in tetragonal garnet-type Li7La3Zr2O12 involves loss of Li2O, resulting in lithium and oxygen vacancies that promote vacancy mediated self-diffusion. The activation energy for lithium migration is much lower than that for oxygen, indicating that oxygen diffusion in this material can be facilitated at higher temperatures.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Ran Gao, Abel Fernandez, Tanmoy Chakraborty, Aileen Luo, David Pesquera, Sujit Das, Gabriel Velarde, Vincent Thoreton, John Kilner, Tatsumi Ishihara, Slavomir Nemsak, Ethan J. Crumlin, Elif Ertekin, Lane W. Martin
Summary: The efficiency of solid-oxide fuel cells and electrolyzers is determined by solid-gas interactions at electrode surfaces. The study on La0.8Sr0.2Co0.2Fe0.8O3 reveals a strong correlation between surface-gas kinetics and crystal orientation of perovskite electrodes, with (111)-oriented surfaces showing higher activity. Electrochemical impedance spectroscopy and electrical conductivity relaxation measurements indicate a surface-orientation dependency of gas-exchange kinetics, with all surfaces having the same reaction mechanisms and rate-limiting steps.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Yao Zhao, John Kilner, Tatsumi Ishihara, Kazunari Yoshizawa, Aleksandar Staykov
Summary: In this study, the impact of the partial covalent character of cations on their ionic diffusivity in La1-xSrxGayMg1-yO3-delta perovskite was computationally determined using density functional theory. The results revealed that cations with stronger covalent character had lower diffusivity compared to cations with more ionic character. The migration pathway of B-site cations was found to be curved to maximize electronic interactions with surrounding oxide ions.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Jinwoo Kim, Dylan Hall, Haoxue Yan, Yitong Shi, Sudha Joseph, Sarah Fearn, Richard J. Chater, David Dye, C. Cem Tasan
Summary: It was found that roughening the surface of Ti-6Al-4V can significantly reduce hydrogen uptake and enhance its resistance against hydrogen embrittlement.
Article
Chemistry, Physical
Katherine Develos-Bagarinao, Ozden Celikbilek, Riyan A. Budiman, Gwilherm Kerherve, Sarah Fearn, Stephen J. Skinner, Haruo Kishimoto
Summary: Innovative electrode structures are actively researched for solid oxide cells (SOCs) to achieve superior performance and long-term stability. This study investigates the effects of deposition temperature and annealing on nanostructured LSC thin film electrodes, revealing the importance of surface and interface tuning for improved electrochemical performance and stability.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Nanoscience & Nanotechnology
Horatio R. J. Cox, Mark Buckwell, Wing H. Ng, Daniel J. Mannion, Adnan Mehonic, Paul R. Shearing, Sarah Fearn, Anthony J. Kenyon
Summary: The article introduces a new nanoscale analysis method, which observes the movement of oxygen in ReRAM devices using secondary ion mass spectrometry, revealing details of oxygen exchange in the stack, including the reservoir-like behavior of Mo electrodes and the injection of oxygen. Controlling oxygen injection is possible by changing the porosity of the SiOx layer.
Article
Electrochemistry
V Thoreton, M. Niania, J. Druce, H. Tellez, J. A. Kilner
Summary: Measurements of oxygen diffusivity in ceramic samples of the mixed ionic electronic conductor La0.6Sr0.4Co0.2Fe0.8O3_(delta) (LSCF6428) revealed the presence of grain boundary tails in diffusion profiles at temperatures below 600 degrees C. Analysis of these tails provided values for the grain boundary diffusion products (D-gb delta). The activation enthalpies for both grain boundary and lattice diffusion were similar, indicating a common diffusion mechanism. Comparison with literature values showed that the D-gb delta values obtained for LSCF6428 were the highest recorded for any oxide material. The reasons for this high value, including nonstoichiometry of the lattice and the presence of twin boundaries, were discussed.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Tahereh G. Avval, Stanislav Prusa, Cody Cushman, Grant T. Hodges, Sarah Fearn, Seong H. Kim, Jan Cechal, Elena Vanickova, Pavel Babik, Tomas Sikola, Hidde H. Brongersma, Matthew R. Linford
Summary: This article presents a tag-and-count approach for determining surface silanol densities on glass surfaces. The method involves tagging surface silanols with zinc via atomic layer deposition (ALD) and detecting the zinc using high sensitivity-low energy ion scattering (HS-LEIS). Experimental results are consistent with literature values.
APPLIED SURFACE SCIENCE
(2023)
Article
Multidisciplinary Sciences
Dolma Michellod, Tanja Bien, Daniel Birgel, Marlene Violette, Manuel Kleiner, Sarah Fearn, Caroline Zeidler, Harald R. Gruber-Vodicka, Nicole Dubilier, Manuel Liebeke
Summary: Using various techniques, such as metabolite imaging and enzyme assays, we have discovered that gutless marine annelids synthesize the plant sterol sitosterol, which is commonly found in plants. This synthesis is facilitated by a noncanonical C-24 sterol methyltransferase, an enzyme that is essential for sitosterol synthesis in plants but not widely known in most animals. Our phylogenetic analyses also indicate that this enzyme is present in representatives of at least five animal phyla, suggesting that the synthesis of plant-like sterols is more common in animals than previously believed.
Article
Chemistry, Physical
Zijie Sha, Gwilherm Kerherve, Matthijs A. van Spronsen, George E. Wilson, John A. Kilner, Georg Held, Stephen J. Skinner
Summary: A study investigated the surface reactions and composition of a mixed ionic and electronic conducting perovskite oxide. The results showed that the surface lattice oxygen is the significant redox active species, rather than the transition metal cations. The study also observed higher concentrations of surface oxygen vacancies and the formation of hydroxyl groups in water vapor. Furthermore, the study found that the concentration of Sr surface species increased over time in dry oxygen, while less Sr contents were observed in water vapor. The findings provide crucial understanding for the design and performance of electrocatalytic electrodes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Matthaeus Siebenhofer, Andreas Nenning, George E. Wilson, John A. Kilner, Christoph Rameshan, Markus Kubicek, Juergen Fleig, Peter Blaha
Summary: This study investigates the effects of sulphur adsorbates and other SOFC poisons on the electronic and ionic properties of an SrO-terminated LSC surface and its oxygen exchange kinetics. Experimental and computational methods were used to analyze the surface modifications caused by the adsorbates. The results show that sulphur adsorbates strongly deactivate the LSC surface and affect oxygen vacancy formation energies. The study also reveals a correlation between work function changes and redistributed charge with the acidity of the adsorbed oxide.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Zijie Sha, Zonghao Shen, Eleonora Cali, John A. A. Kilner, Stephen J. J. Skinner
Summary: The effect of operating conditions on the surface composition and evolution of a perovskite oxide, (La0.8Sr0.2)(0.95)Cr0.5Fe0.5O3-delta (LSCrF8255), was investigated. Different environments were used to analyze the perovskite materials' applications as electrodes in electrochemical energy conversion devices. A variety of surface characterization techniques were employed, and the results showed that the operating conditions had a significant impact on surface segregation and phase separation.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Energy & Fuels
Rowena H. Brugge, Richard J. Chater, John A. Kilner, Ainara Aguadero
Summary: The current lithium ion battery technology poses safety risks, with the development of solid ceramic electrolytes offering a safer alternative for the next generation of all-solid-state batteries. However, the lithium diffusion behavior in these solid electrolytes and transport properties at the metal anode interface are not well understood. The proposed methodology aims to obtain lithium diffusion coefficients of bulk solid ceramic electrolytes and study their interfaces with electrodes for further optimization and performance enhancement in solid-state lithium batteries and hybrid systems.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Physical
Vincent Thoreton, Mathew Niania, John Kilner
Summary: The study investigates the oxygen transport kinetics under humidified oxygen conditions through isotopic exchange depth profiling. It reveals that the surface exchange coefficient of water is higher than that of molecular oxygen, suggesting that water tends to occupy the active exchange sites at the material surface and exchange oxygen more rapidly than molecular oxygen.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
