Article
Polymer Science
Siddhartha Akkiraju, John Vergados, Laura Hoagland, Zijie Lu, Venkataramani Anandan, Bryan W. Boudouris
Summary: Mixed electron- and ion-conducting polymers are of great interest for organic electronic devices. By blending polymers with ion and electron conductivity, a template is established for developing next-generation simultaneous conduction devices.
Article
Chemistry, Physical
Jiayue Wang, Jing Yang, Alexander Karl Opitz, Dmitri Kalaev, Andreas Nenning, Ethan J. Crumlin, Jerzy T. Sadowski, Iradwikanari Waluyo, Adrian Hunt, Harry L. Tuller, Bilge Yildiz
Summary: Understanding the surface defect chemistry and its strain dependency is crucial in developing next-generation electrochemical devices. This study constructed the strain-dependent surface defect equilibria of mixed ionic-electronic conducting perovskite oxides and investigated the effect of strain on the reducibility of the surfaces. The findings were validated by first principles calculations and thermodynamic analyses, providing a quantitative determination of the surface defect chemistry.
CHEMISTRY OF MATERIALS
(2022)
Article
Physics, Applied
J. Li, A. Maity, S. J. Grenadier, J. Y. Lin, H. X. Jiang
Summary: The study found that the electron mobility-lifetime product of h-BN detectors increases while the surface recombination field decreases at elevated temperatures, leading to an enhanced charge collection efficiency. Electrons trapped in surface states tend to thermally activate to the bulk region at higher temperatures, reducing the density of charged surface states.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Shuai Li, Shi-Jie Yang, Gui-Xian Liu, Jiang-Kui Hu, Yu-Long Liao, Xi-Long Wang, Rui Wen, Hong Yuan, Jia-Qi Huang, Qiang Zhang
Summary: A dynamically stable mixed conducting interphase (S-MCI) is proposed using a stress self-limiting mechanism to achieve compatibility between Li metal and composite sulfide electrolytes. This interphase can enhance Li-ion transport rate, promote uniform Li deposition, and suppress dendrite formation.
ADVANCED MATERIALS
(2023)
Article
Engineering, Chemical
Kiryl Zakharchuk, Aleksandr Bamburov, Eugene N. Naumovich, Miguel A. Vieira, Aleksey A. Yaremchenko
Summary: The study investigates the incorporation of silicon into Ruddlesden-Popper La2NiO4+delta mixed conducting ceramics to improve chemical compatibility with lanthanum silicate-based solid electrolytes. Results show that silicon additions lead to segregation of secondary phases and suppress both electrical conductivity and oxygen-ionic transport in the ceramics. The preferential reactivity of silica with lanthanum oxide suggests a potential to enhance compatibility between solid electrolytes and electrodes through surface modifications.
Article
Polymer Science
Aditi Khot, Brett M. Savoie
Summary: This study presents a coarse-grained modeling framework flexible enough to explore the structure-function relationships of organic mixed conductors exhibiting both ionic and electronic conductivity. The model successfully replicates experimental trends and reveals the complex interplay between polymer morphology, ionic-electronic coupling, and electrolyte distribution. This framework provides validation for future applications in establishing structure-function relationships in this important material class and suggests near-term opportunities for tailoring mixed conduction via side-chain design.
Article
Physics, Multidisciplinary
N. Aruna Kumari, V. Bharath Sreenivasulu, Jawar Singh
Summary: This paper reports the performance of 3D Nanosheet FETs (NSFETs) in different modes and at elevated temperatures for the first time. The results show that temperature has a significant impact on the mobility of the NSFETs, with a decrease observed in the inversion mode and increases observed in the accumulation and junctionless modes. The study also evaluates various DC and analog/RF figures of merit for different temperatures and demonstrates the impact of temperature on circuit performance.
Article
Chemistry, Physical
Bo Liu, Zongbao Li, Xinwei Yang, Dong Yan, Jian Li, Lichao Jia
Summary: The double perovskite material PBKFZ has been designed and synthesized as a new cathode for proton-conducting solid oxide fuel cells. The effects of K-doping on various properties have been investigated, and it has been found that K doping improves thermal expansion behavior and proton uptake capacity. A single cell with the PBKFZ cathode exhibits excellent electrochemical performance compared to the cell with the pristine PBFZ cathode.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Kwangho Park, Hohan Bae, Hyun-Kyu Kim, In-Gyu Choi, Minkyeong Jo, Gwang-Min Park, Muhammad Asif, Aman Bhardwaj, Kug-Seung Lee, Yeong-Cheol Kim, Sun-Ju Song, Eric D. D. Wachsman, Jun-Young Park
Summary: This study presents a highly efficient electrocatalyst based on a misfit-layered structure, which exhibits exceptional fuel cell and electrolysis performance at high temperatures, as well as long-term operational stability. By doping with basic monovalent ions, the material shows increased oxidation state and improved proton uptake and diffusion properties.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Scott T. Keene, Viktor Gueskine, Magnus Berggren, George G. Malliaras, Klas Tybrandt, Igor Zozoulenko
Summary: Efficient transport of both ionic and electronic charges in conjugated polymers has enabled a wide range of novel electrochemical devices. This Perspective provides an overview of the fundamental physical processes underlying the operation of mixed conducting polymer devices and highlights recent advances in this field. Challenges in further extending the understanding of MCP-based device operation are identified. A deeper understanding of the elementary processes governing operation in MCPs will drive materials design and device performance advancement.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Darcy Simondson, Manjunath Chatti, James L. Gardiner, Brittany Kerr, Dijon A. Hoogeveen, Pavel Cherepanov, Inga C. Kuschnerus, Tam D. Nguyen, Bernt Johannessen, Shery L. Y. Chang, Douglas R. MacFarlane, Rosalie K. Hocking, Alexandr N. Simonov
Summary: Developing catalysts for the OER that can operate at low pH and elevated temperatures without using scarce metals like ruthenium and iridium is an attractive strategy for reducing the cost of efficient water electrolyzers. This study presents a [Ag + Bi]O-x catalyst based on intermixed silver and bismuth oxides, which can stably operate on various electrode substrates in pure aqueous H2SO4 solutions. The catalyst exhibits robust operation at pH 0.3 and temperatures as high as 80 degrees C, delivering an OER rate of 100 mA cm(-2) at an overpotential of 0.70 +/- 0.02 V vs RHE.
Article
Engineering, Industrial
Mike Kamaliev, Felix Kolpak, A. Erman Tekkaya
Summary: A new isothermal hot-tube-bulge test and a modified pressurized-tube-tensile test are proposed to characterize the forming limits of tubular materials at elevated temperatures. The new hot-tube-bulge test overcomes the uncertainty caused by friction in other test setups, while the modified pressurized-tube-tensile test can be evaluated using standardized methods. The results of the experiments are comparable to those reported in literature, and the hot-tube-bulge test is found to be suitable for determining flow curves.
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2022)
Article
Chemistry, Physical
Gordon Pace, Oscar Nordness, Kareem Asham, Raphaele J. Clement, Rachel A. Segalman
Summary: This study demonstrates that Li+ conductivity in semiconducting polymers can be controlled through side chain chemistry. By functionalizing with an ionic liquid side chain, a higher conductivity and lithium transference have been achieved compared to commonly studied ether-functionalized derivatives.
CHEMISTRY OF MATERIALS
(2022)
Article
Polymer Science
Maria J. P. Ribas, Alireza Akhavan-Safar, Nicolas Pigray, Ricardo J. C. Carbas, Eduardo A. S. Marques, Catarina S. P. Borges, Sabine Wenig, Lucas F. M. da Silva
Summary: This study aims to analyze the impact of strain rate and temperature on the mixed-mode fracture characteristics of a polyurethane adhesive. Through mixed-mode bending tests, researchers found that the maximum load supported by the specimen increased with an increasing loading rate when the temperature exceeded the glass transition temperature.
Article
Electrochemistry
Rajib Paul, Ajit K. Roy
Summary: A simple spray pyrolysis process was developed to synthesize a highly flexible carbon-based electrode with high charge storage capacity using solid-state electrolyte. The resulting electrode exhibited excellent performance, including stability, high energy density, and good cycling stability.
ELECTROCHIMICA ACTA
(2021)
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)