Article
Nanoscience & Nanotechnology
Yuqiao Zhang, Hai Jun Cho, Feng Jiang, Chengliang Xia, Yue Chen, Weishu Liu, Hiromichi Ohta
Summary: The modulation of electrical and thermal conductivities of BTNO epitaxial films was systematically investigated in this study. By controlling the Ti/Nb ratio, both the lattice structures and conduction band were modulated, affecting the electrical and thermal conductivities. A phase transition was detected at x similar to 0.5, impacting both the electron and heat transports. By controlling the lattice distortion, conduction band, and phase transition, the electrical and thermal conductivity of BTNO epitaxial films can be modulated within a much greater range.
Article
Materials Science, Ceramics
Masahide Kaneko, Kakeru Ninomiya, Tomoko Hishida, Yuki Takeuchi, Kazushi Otani, Maiko Nishibori
Summary: The conductivity enhancement of Li7La3Zr2O12 (LLZO), an oxide-based solid electrolyte with excess Li, was investigated experimentally through subvalent cation substitution. Sr-substituted Li-rich LLZO with high conductivity of the order of 10(-4) S/cm was prepared using a solid-state method. Detailed structural analysis through Sr K-edge X-ray absorption near edge spectroscopy, X-ray diffraction, and neutron powder diffraction analyses revealed that the conductivity enhancement is a result of the change in Li+ arrangement caused by the incorporation of excess Li into the LLZO lattice.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Meteorology & Atmospheric Sciences
Phoebe G. Aron, Christopher J. Poulsen, Richard P. Fiorella, Naomi E. Levin, Rene P. Acosta, Brian J. Yanites, Elizabeth J. Cassel
Summary: The study presents a three-year record of isotopic variability in central Andean precipitation, highlighting the negative correlation between elevation and delta O-18(p) values. Results show that seasonal variations in delta O-18(p) are influenced by upstream rainout and local convection. Both eastern- and western-derived air masses contribute to precipitation in southern Peru, and seasonal d-excess(p) cycles record moisture recycling and relative humidity at remote moisture sources.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2021)
Article
Materials Science, Ceramics
Shrishti Uniyal, Neetu Yadav, Sitharaman Uma, Rajamani Nagarajan
Summary: The study successfully prepared Hf/Zr substituted In2O3 using a co-complexation method, demonstrating potential for a transparent conducting oxide. Changes in material structure and optical properties were confirmed, providing new insights for future research on transparent conducting oxides.
CERAMICS INTERNATIONAL
(2022)
Article
Materials Science, Multidisciplinary
Hengbo Xiao, Kai Chi, Hongxia Yin, Xiangji Zhou, Pengxiang Lei, Peizhi Liu, Jiakun Fang, Xiuhong Li, Songliu Yuan, Zhen Zhang, Yaqiong Su, Junjie Guo, Lihua Qian
Summary: Oxygen vacancies in transition metal oxides can be used to modulate surface reconstruction for enhancing the oxygen evolution reaction (OER). In this study, oxygen vacancies were specifically localized within MoO4 tetrahedrons rather than CoO6 octahedrons in the CoMoO4 catalyst, resulting in the coherent reconstruction of CoO6 octahedrons into pure CoOOH with tunable OER activities. The manipulated distorted polyhedrons facilitated the complete transformation of CoO6 octahedrons into pure CoOOH at lower potentials, leading to a significantly improved intrinsic activity for OER.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
B. V. Politov, J. C. Waerenborgh, I. R. Shein, O. V. Merkulov
Summary: The crystalline and electronic band structures, thermodynamic stability, oxygen non-stoichiometry and high-temperature transport properties of perovskite-like solid solutions Sr1-yFe0.5-xTa0.5+xO3-delta have been thoroughly studied. It is found that intentionally introducing defects in the strontium sublattice can stabilize the oxides with excess tantalum content. The charge states in the iron sublattice are mainly Fe3+ ions, and the band structure calculations support the semiconducting nature of electrical transport. The overall defect structure heavily relies on oxygen vacancy formation processes. Increasing the tantalum content improves the oxygen non-stoichiometry and conductive properties of the materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Daniel Errandonea, Fernando Rodriguez, Rosario Vilaplana, David Vie, Siddhi Garg, Bishnupriya Nayak, Nandini Garg, Jaspreet Singh, Venkatakrishnan Kanchana, Ganapathy Vaitheeswaran
Summary: We have conducted a comprehensive study on the optical and structural properties of NiWO4 through experiments and density functional theory calculations. We have accurately determined the pressure effect on the crystal structure and the band gap. We have also identified the sub-band-gap optical spectrum and resolved the controversial assignment of crystal-field transitions. Moreover, resistivity and Hall-effect measurements have revealed that NiWO4 is a p-type semiconductor with decreasing resistivity under pressure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Water Resources
Stefan Terzer-Wassmuth, Leonard I. Wassenaar, Jeffrey M. Welker, Luis J. Araguas-Araguas
Summary: Patterns of delta O-18 and delta H-2 in Earth's precipitation are vital for various scientific researches. The Regionalized Cluster-Based Water Isotope Prediction model (RCWIP2) has improved prediction accuracy by incorporating new data and coupling delta O-18 and delta H-2. The improved isoscape grids and maps are available for free download.
HYDROLOGICAL PROCESSES
(2021)
Article
Chemistry, Physical
Mateusz Jan Zuba, Antonin Grenier, Zachary Lebens-Higgins, Galo J. Paez Fajardo, Yixuan Li, Yang Ha, Hui Zhou, M. Stanley Whittingham, Wanli Yang, Ying Shirley Meng, Karena W. Chapman, Louis F. J. Piper
Summary: Comparing LR-NMC compounds with a model Mn7+ system KMnO4, it was found that beam-induced Mn reduction can be observed in KMnO4, but negligible evidence for Mn oxidation was observed in LR-NMC, indicating a more reduced TM environment.
ACS ENERGY LETTERS
(2021)
Article
Physics, Multidisciplinary
Lijin Wang, Grzegorz Szamel, Elijah Flenner
Summary: The study reveals that the density of excess vibrational modes in glasses is proportional to their frequency and shows a consistent pattern within a specific frequency range. Furthermore, the density of excess modes is affected by the size of the system, particularly as the system size decreases.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
P. Elorika, Sharmistha Anwar, Shahid Anwar
Summary: The effect of hafnium (Hf4+) substitution on the properties of barium titanate (BT) was investigated. The structural refinement confirmed the single phase formation in pure BT and a mixture of phases in Hf-doped BT. Raman analysis confirmed the presence of [TiO6] and [HfO6] octahedra. XPS analysis confirmed the formation of structural disordering due to oxygen vacancies. The highest piezoelectric charge coefficient was found in BHT-5 (5% Hf) and the ceramics exhibited high energy storage efficiency and wide optical bandgap suitable for optoelectronic applications.
MATERIALS RESEARCH BULLETIN
(2023)
Article
Chemistry, Multidisciplinary
Juan-Jesus Velasco-Velez, Emilia A. Carbonio, Cheng-Hao Chuang, Cheng-Jhih Hsu, Jyh-Fu Lee, Rosa Arrigo, Michael Haevecker, Ruizhi Wang, Milivoj Plodinec, Feng Ryan Wang, Alba Centeno, Amaia Zurutuza, Lorenz J. Falling, Rik Valentijn Mom, Stephan Hofmann, Robert Schloegl, Axel Knop-Gericke, Travis E. Jones
Summary: Iridium and ruthenium based anodes show low overpotentials and high corrosion resistance, making them ideal for the oxygen evolution reaction under harsh acidic conditions. Through advanced X-ray spectroscopy techniques, electrode nanofabrication, and DFT calculations, researchers revealed that the oxygen evolution reaction is controlled by the formation of empty Ir 5d states on the surface, while oxygen bound to three iridium centers remains dominant in the bulk. Furthermore, the study found that a high coverage of μ(1)-OO (peroxo) species during the OER is excluded, and a higher surface-to-bulk ratio in thinner electrodes enhances material usage.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Wennie Wang, Marco Favaro, Emily Chen, Lena Trotochaud, Hendrik Bluhm, Kyoung-Shin Choi, Roel van de Krol, David E. Starr, Giulia Galli
Summary: This study presents a combined computational and experimental investigation on the adsorption of water on the Mo-doped BiVO4(010) surface. It reveals the influence of excess electrons on the dissociation of water and the hydroxyl-induced alterations of the surface electronic structure. The dissociation of water stabilizes the formation of a small electron polaron on the VO4 tetrahedral site and enhances the concentration of localized electronic charge at the surface.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Materials Science, Ceramics
Nobuhiro Morisaki, Tomoharu Tokunaga, Kiyoshi Kobayashi, Ayu Kodaira, Takahisa Yamamoto
Summary: This study semi-quantitatively estimated the amount of excess oxygen vacancies generated during the FAST regime of direct-current flash sintering, and found that it is related to the Y2O3 content and electrode overvoltage.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Bin Zhao, Sein Chung, Min Zhang, Wuning Wei, Chaofeng Zhu, Chenghao Deng, Kilwon Cho, Zhipeng Kan
Summary: This study proposes an innovative strategy to enhance the performance of the commonly used anode interlayer PEDOT:PSS by incorporating molybdenum-containing semiconductors, resulting in improved efficiency of organic solar cells.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Mei Guo, Nahum Maso, Yang Liu, Anthony R. West
INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Physical
Xin Song, Matthias Schrade, Nahum Maso, Terje G. Finstad
JOURNAL OF ALLOYS AND COMPOUNDS
(2017)
Article
Materials Science, Ceramics
Nahum Maso, Cecile Marcelot, Laetitia Fabre, Jean-Baptiste Fruhauf, Pascal Dufour, Christophe Tenailleau, Benedicte Warot-Fonrose, Etienne Snoeck, Sophie Guillemet-Fritsch
JOURNAL OF ELECTROCERAMICS
(2018)
Article
Electrochemistry
Xavier Vendrell, Anthony R. West
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2018)
Article
Materials Science, Ceramics
Fadhlina Che Ros, Nik Reeves-McLaren, Nahum Maso, Anthony R. West
JOURNAL OF THE AUSTRALIAN CERAMIC SOCIETY
(2019)
Article
Materials Science, Ceramics
Xavier Vendrell, Anthony R. West
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2019)
Article
Multidisciplinary Sciences
Marc Jovani, Hector Beltran-Mir, Eloisa Cordoncillo, Anthony R. West
SCIENTIFIC REPORTS
(2019)
Article
Physics, Multidisciplinary
Xavier Vendrell, Julia Ramirez-Gonzalez, Zuo-Guang Ye, Anthony R. West
Summary: In this study, impedance measurements and equivalent circuit analysis were used to reveal the key role of a constant phase element in the behavior of relaxor ferroelectric materials. This finding is significant for understanding the relaxation mechanisms and controlling the characteristics of relaxor materials.
COMMUNICATIONS PHYSICS
(2022)
Article
Materials Science, Ceramics
Meshari Alotaibi, Fawaz Almutairi, Anthony R. West
Summary: Yttria-stabilized hafnia ceramics exhibit unique electrical conductivity at high temperature and under applied bias, with reversible switching behavior.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Xuan Zhi, Anthony R. West
Summary: This article reviews oxide phases with a cation-disordered, cubic rock salt structure, including Li2TiO3, Li2MnO3, Li3NbO4, and a new polymorph of LiAlO2. These phases are all metastable and transform irreversibly to thermodynamically stable ordered structures on heating. Factors affecting the thermodynamic and kinetic stability of the phases and their synthesis conditions are discussed.
CHEMISTRY OF MATERIALS
(2023)
Review
Chemistry, Physical
Anthony R. West
Summary: Oxide ions, traditionally regarded as inert anions, are now found to exhibit redox activity in certain situations. This activity arises from the inherent instability of O2- ions in the gas phase, which is compensated by lattice energy in crystal structures. Oxygen redox can be observed in various systems, such as battery cathodes, doped titanate perovskites, and oxide ceramics, leading to emerging phenomena like resistive switching and 2D electron gases.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Fawaz Almutairi, Meshari Alotaibi, Anthony R. West
Summary: Y-doped ceria shows resistive switching under a small applied voltage, and the effect is enhanced in reduced conditions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yun Dang, Xin Li Phuah, Han Wang, Bo Yang, Haiyan Wang, Anthony R. West
Summary: Ti1-xCrxO2-x/2-delta powders and ceramics with various Cr doping concentrations were prepared by solid state reaction, showing homogeneous distribution of doping ions and unique charge compensation mechanisms at different doping levels, resulting in electronic insulation, semiconduction, and core-shell structures. The lattice parameters exhibited non-linear Vegard's law behavior with a maximum cell volume at intermediate Cr doping concentrations, attributed to the presence of Ti3+ ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Linhao Li, Joe Kler, Anthony R. West, Roger A. De Souza, Derek C. Sinclair
Summary: The research shows that optimization of oxide ion conductivity in materials like BiFeO3 requires considerations beyond a simple crystallochemical approach based on matching the ionic radii of acceptor dopant and host lattice ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
F. Yang, A. R. West, D. C. Sinclair
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
