Article
Chemistry, Multidisciplinary
Che-an Lin, Ralph Nicolai Nasara, Shih-kang Lin
Summary: This study systematically investigated Co-free layered oxides using ab initio calculations based on density functional theory. By examining the effects of transition metals and main group metals, as well as compound effects of layered oxides with multiple elements, some promising compounds were identified.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Chemistry, Physical
Jordan Burns, Kristin A. Persson
Summary: In this study, oxygen evolution energies were calculated for different facets of a rock-salt-structured cation-disordered Li-excess, Mn-rich Li-ion cathode Li2MnO2F at different lithiation states. The results showed that Li2MnO2F is more resistant to oxygen loss compared to nonfluorinated counterparts, particularly the {110} and {112} facets. For the {100} facet, higher proportions of Li in an O coordination shell lead to lower oxygen evolution energy (E-O(similar to)) and facilitate oxygen loss. Surface fluorine has a weaker effect on increasing E-O(similar to) at higher lithiation states. Weak bonding interactions between Li and O were found to be associated with lower E-O(similar to) and a higher propensity for surface oxygen loss.
CHEMISTRY OF MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Yuki Yoshimoto, Takahiro Toma, Kenta Hongo, Kousuke Nakano, Ryo Maezono
Summary: The cathode material of a lithium-ion battery plays a crucial role in the durability, capacity, and safety of the battery. LiNiO2 has attracted attention as a potential cathode material for higher capacity due to its ability to extract more lithium at the same voltage compared to LiCoO2. However, it is prone to pyrolysis, which can lead to ignition and explosion hazards. This study investigates possible elemental substitutions to suppress pyrolysis and identifies P, Ta, and W as promising solutions.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Conor Jason Price, Joe Pitfield, Edward Allery David Baker, Steven Paul Hepplestone
Summary: The study explores the potential of layered ScS2 as a cathode material for high efficiency portable batteries. Through a comprehensive first-principles study, it is found that ScS2 possesses desirable properties such as high voltage, low volume expansion, electronic conductivity, and ductility once intercalated. Lithium is determined to be the best choice for cathode applications, with ScS2 exhibiting a reversible capacity on par with current state of the art cathode materials. The substitution of foreign metal species into ScS2 is found to be detrimental to its performance, suggesting the potential for improvement by mixing scandium into other layered systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Electrochemistry
Yin-Ying Ting, Piotr M. Kowalski
Summary: This study tests the performance of the parameter-free DFT+U method in predicting the structural parameters and electronic configuration of three materials. The obtained results are consistent with more computationally demanding methods. The study emphasizes the importance of using a realistic representation of the d orbitals to obtain accurate occupancies and improve the description of the electronic structure.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Pete Barnes, Yunxing Zuo, Kiev Dixon, Dewen Hou, Sungsik Lee, Zhiyuan Ma, Justin G. Connell, Hua Zhou, Changjian Deng, Kassiopeia Smith, Eric Gabriel, Yuzi Liu, Olivia O. Maryon, Paul H. Davis, Haoyu Zhu, Yingge Du, Ji Qi, Zhuoying Zhu, Chi Chen, Zihua Zhu, Yadong Zhou, Paul J. Simmonds, Ariel E. Briggs, Darin Schwartz, Shyue Ping Ong, Hui Xiong
Summary: A nanostructured rock-salt Nb2O5 electrode formed through amorphous-to-crystalline transformation during cycling with Li+ exhibits superb cycling stability and high capacity at high rates.
Article
Chemistry, Inorganic & Nuclear
Jiaying Sun, Renhai Wang, Zhiyuan Ding, Xunjiang Zhang, QianRong Zhang, Bingkai Zhang, Huafeng Dong, Fugen Wu
Summary: Using the adaptive genetic algorithm, a new ground-state Li(2)CoB and two metastable states LiCoB and LiCo2B2 were found in the Li-Co-B system. The Li2CoB phase is a layered structure, and it has a lower voltage platform (0.05 V) and equivalent lithium-ion migration barrier (0.32 eV) compared to graphite, indicating its excellent potential as an anode material for lithium-ion batteries. Our work provides a promising theoretical basis for the experimental synthesis of Li-Co-B and similar new materials.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Kira E. Wyckoff, Linus Kautzsch, Jonas L. Kaufman, Brenden R. Ortiz, Anna Kallistova, Ganesh Pokharel, Jue Liu, Keith M. Taddei, Kamila M. Wiaderek, Saul H. Lapidus, Stephen D. Wilson, Anton van der Ven, Ram Seshadri
Summary: Controlling the magnetic properties of functional inorganic materials with a kagome-derived network is achieved by electrochemically controlling the lithium content. The electronic occupancy and consequent magnetic properties are varied by inserting up to two additional lithium ions into LiScMo3O8. The measurements and calculations reveal the evolution from a diamagnetic band insulator to a geometrically frustrated magnet and back to a diamagnetic insulator as the lithium content changes.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Applied
Yongheng Si, Kun Bai, Yaxin Wang, Han Lu, Litong Liu, Ziyan Long, Yujuan Zhao
Summary: Defective layered Mn-based materials were synthesized through Li/Na ion exchange to enhance their electrochemical activity and Coulombic efficiency. The annealing temperature of the Na precursors played a crucial role in controlling the P3-P2 phase transition and determining the structure and electrochemical characteristics of the final products. The analysis of the O3-Li0.78[Li0.25Fe0.075Mn0.675]Od cathode, prepared from a P3-type precursor calcined at 700 degrees C, using X-ray photoelectron spectroscopy and electron paramagnetic resonance revealed the presence of abundant trivalent manganese and defects, leading to a discharge capacity of 230 mAh/g with an initial Coulombic efficiency of about 109%. Galvanostatic intermittent titration experiments were conducted to study the Li+ ion diffusion coefficients and their effect on reversible capacity. First principles calculations suggested that the charge redistribution induced by oxygen vacancies greatly influenced the local Mn coordination environment and enhanced the structural activity. Furthermore, the Li-deficient cathode paired with a pre-lithiated anode provided a novel approach to improve the initial Coulombic efficiency and activity of Mn-based materials in commercial applications.
JOURNAL OF ENERGY CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Ajay Kumar, Prakash Parida
Summary: In this study, the electrochemical performance of the 6-5 boron monolayer as an anode material for alkali metal and alkaline earth metal ion batteries was investigated using density-functional theory simulations. The results showed that the delta-5 boron monolayer has high electrical conductivity, fast charge/discharge rate, and higher theoretical capacities compared to commercial graphite. The average open-circuit voltage was also found to be reasonably low, indicating its potential as a promising anode material for lithium-ion and non-lithium-ion rechargeable batteries.
JOURNAL OF MATERIALS RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Che-An Lin, Shih-Kang Lin
Summary: Interfacial stability is a key issue in the development of all-solid-state batteries, particularly for ceramics-based ones. The challenges include poor contacts between electrode and electrolyte materials, as well as the chemical and electrochemical stability of the electrolyte materials. Various experimental and computational approaches have been proposed to analyze and improve the interfacial stability of ASSB.
Article
Chemistry, Physical
Wei Hu, Haiqun Kou, Yongzhong Chen, Yuxiu Wang, Huiting Zhu, Gang Li, Huili Li
Summary: This study investigates the roles of Al, Mn, and Co in Ni-rich layered cathode materials using first-principles calculations. The results demonstrate that Al and Co doping can improve the rate performance of the cathode, while Mn doping is beneficial for enhancing intercalation potential and reducing volume change during charging/discharge. Additionally, Al doping also helps stabilize the oxygen element. This theoretical study provides new insights into the roles of Al, Mn, and Co in Ni-rich cathode materials and offers guidance for designing high-performance cathode materials.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Nanoscience & Nanotechnology
Xueqian Ji, Yuxing Xu, Hailan Feng, Pengfei Wang, Yuncheng Zhou, Jiechen Song, Qing Xia, Qiangqiang Tan
Summary: By combining LiMn1.4Ni0.5Mo0.1O4 coating with Mo doping, this study successfully improved the initial Coulombic efficiency, cycling stability, and rate performance of the Li-rich Mn-based Li1.2Mn0.54Ni0.13Co0.13O2 cathode.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Marcos A. S. Francisco, Felipe Fantuzzi, Thiago M. Cardozo, Pierre M. Esteves, Bernd Engels, Ricardo R. Oliveira
Summary: This study discusses the design principles and computational investigation of new organometallic platforms containing stable manganese-manganese bonds. The analysis focuses on the metal-carbene interaction and auxiliary coordination to generate short metal-metal bonds, closed-shell singlet multiplicities, and positive singlet-triplet energy gaps. The research identifies two classes of viable synthetic targets with thoroughly investigated electrostructural properties.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Yin Zhang, Baocong Tian, Qian Shi, KangKang Yao, Minwei Xu
Summary: Li-Mn-O spinels with a Li-gradient achieved by surface treatment exhibit good cycle stability and relatively high capacity.
APPLIED SURFACE SCIENCE
(2022)
Article
Nanoscience & Nanotechnology
Hyo Bin Lee, Trung Dinh Hoang, Yun Seong Byeon, Hyuck Jung, Janghyuk Moon, Min-Sik Park
Summary: Ni-rich layered cathode materials have become popular for lithium-ion batteries. Coating the surface of these materials with piezoelectric LiTaO3 enhances charge transfer reactions and surface structural integrity, improving the reversibility and mechanical strength of the cathode materials. This approach also enhances rate capability at high current densities and provides practical insights for the development of Ni-rich cathode materials for electric vehicle applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Electrochemistry
Min-Seon Shin, Cheon-Kyu Choi, Min-Sik Park, Sung-Man Lee
Summary: A micron-sized Si/CNT/graphene composite was synthesized using a spray process, demonstrating high discharge capacity, cycling stability, and rate capability. A blended electrode consisting of the composite and natural graphite exhibited stable cycle performance over 100 cycles.
JOURNAL OF ELECTROCHEMICAL SCIENCE AND TECHNOLOGY
(2022)
Review
Materials Science, Multidisciplinary
Hamzeh Qutaish, Sang A. Han, Yaser Rehman, Konstantin Konstantinov, Min-Sik Park, Jung Ho Kim
Summary: Lithium metal batteries have gained attention due to their high energy capacity. However, the dendritic growth of lithium hinders its practical application. This review discusses the failure mechanisms of lithium metal anode and the models describing its deposition and dendritic growth. Porous carbon-based frameworks are promising for resolving these issues.
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
(2022)
Article
Engineering, Multidisciplinary
Sang Han, Janghyuk Moon, Han-Yup Yum, Min-Sik Park, Sang-Woo Kim, Jung Ho Kim
Summary: In this study, the piezoelectric behavior of metal-doped monolayer MoS2 was investigated. The theoretical predictions and experimental verification showed that p-type metal dopants increased the work function of monolayer MoS2 and affected electron emission.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Nanoscience & Nanotechnology
Bo Keun Park, Hyun-Seung Kim, Sang A. Han, Han Jun Leem, Taehee Kim, Yong Gab Kwon, Jin Hyeok Yang, Junyoung Mun, Jisang Yu, Min-Sik Park, Jung Ho Kim, Ki Jae Kim
Summary: By introducing a dielectric silicon oxide with bi-morphological form onto a conventional polyethylene separator, the growth of lithium dendrites can be suppressed, leading to improved performance of lithium-ion batteries.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Hamzeh Qutaish, Joo Hyeong Suh, Sang A. Han, Soyeun Kim, Min-Sik Park, Jung Ho Kim
Summary: In this study, we functionalized porous carbon to improve its wettability and formed a catalyst during lithium deposition, which enhanced the surface morphology and electrochemical performance of the carbon material.
APPLIED SURFACE SCIENCE
(2022)
Article
Engineering, Environmental
Sung Joon Park, So Yeon Yang, Sang A. Han, Yun Jeong Choi, Taehee Kim, Min-Sik Park, Jung Ho Kim, Ki Jae Kim
Summary: By coating ordered mesoporous Mn2O3 (m-Mn2O3) and highly conductive Super P (SP) on polyethylene (PE) separators, we have designed a multifunctional composite separator to enhance the reversibility and cycling stability of lithium-sulfur batteries (LSBs). The m-Mn2O3 offers fast chemisorption of polysulfides dissolved in electrolyte, and the highly conductive SP physically mitigates the crossover of polysulfides and reversibly reutilizes them during cycling. In practice, the LSB cell assembled with the separator coated with m-Mn2O3 and SP delivers a high reversible capacity of 553 mAh g-1 at a current density of 0.5 C, even after 300 cycles.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Analytical
Hongjun Chang, Min-Sik Park, Jung Ho Kim, Janghyuk Moon
Summary: Carbon-coated silicon materials are considered as promising anode materials in high-capacity lithium-ion batteries. However, their poor electrochemical characteristics hinder their application. Therefore, research on defect engineering has been conducted to enhance the storage capacity of carbon-coated silicon materials.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Hong Rim Shin, Siwon Kim, Junho Park, Jung Ho Kim, Min -Sik Park, Won Lee
Summary: Three-dimensional host architectures based on metal-organic framework-derived carbon enable confined Li metal storage by controlling the competing reaction kinetics. The controlled heterogeneity of interfacial activity and the porous structure at the electrode level play critical roles in regulating the Li-plating behavior. The proposed design principles provide an effective strategy for designing advanced Li metal anodes.
ENERGY STORAGE MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Taehee Kim, Junwon Lee, Min Jae You, Chang Hoon Song, Seung-Min Oh, Janghyuk Moon, Jung Ho Kim, Min-Sik Park
Summary: The adoption of Li2CuO2 as a Li-excess cathode additive for compensating irreversible Li+ loss has gained interest for high-energy-density lithium-ion batteries. However, its practical use is restricted due to structural instability and spontaneous oxygen evolution, resulting in poor cycling performance. In this study, cosubstitution by heteroatoms, such as nickel and manganese, was demonstrated to improve the structural stability and electrochemical performance of Li2CuO2. These findings provide new conceptual pathways for developing advanced cathode additives for high-energy LIBs.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Yong Min Kim, Hyun-seung Kim, Bo Keun Park, Jin Hyeok Yang, Han Jun Leem, Jisang Yu, Siwon Kim, So Yeun Kim, Jong-Won Lee, Min-Sik Park, Ki Jae Kim
Summary: This article introduces a newly designed all-in-one separator containing bifunctional CaCO3 nanoparticles to achieve the flattening of Li deposits on the Li electrode. The strong interactions between the highly polar CaCO3 nanoparticles and the polar solvent reduce the ionic radius of the Li+-solvent complex, increasing the Li+ transference number and reducing the concentration overpotential in the electrolyte-filled separator. Additionally, the integration of CaCO3 nanoparticles induces the spontaneous formation of mechanically-strong and lithiophilic CaLi2 at the Li/separator interface, effectively decreasing the nucleation overpotential toward Li plating. As a result, the Li deposits exhibit dendrite-free planar morphologies, enabling excellent cycling performance in LMBs.
Editorial Material
Energy & Fuels
Min-Sik Park, Jung Ho Kim
Summary: A lithium anode coated with a side-chain-engineered polymer containing salt-philic and solvent-phobic moieties has been reported to regulate the electrode-electrolyte interphase, extending its cycle life.
Article
Materials Science, Multidisciplinary
Hamzeh Qutaish, Hongjun Chang, Joo Hyeong Suh, Sang A. Han, Han-Yup Yum, Min-Sik Park, Janghyuk Moon, Jung Ho Kim
Summary: Researchers have used density functional theory calculations to predict the effects of different heteroatoms (pyridinic N, pyrrolic N, quaternary N, and Co-N4) on the growth mechanism of lithium clusters. It was found that Co-N4 affects the axial lithium growth on carbon frameworks, while other heteroatoms induce vertical lithium growth. This study, combining theoretical calculations and experiments, expands the understanding of carbon host materials for practical applications of lithium metal batteries.
ACS MATERIALS LETTERS
(2023)
Review
Chemistry, Physical
Sang A. Han, Hamzeh Qutaish, Jong-Won Lee, Min-Sik Park, Jung Ho Kim
Summary: Lithium-ion batteries play a crucial role in portable electronic devices, and innovative solutions are needed to address technical issues and enhance safety. Metal-organic frameworks (MOFs) have shown promise in meeting the requirements of advanced energy storage technologies, particularly in different types of lithium batteries.
Article
Materials Science, Multidisciplinary
Jinxue Zhang, Fantai Kong, Yaole Peng, Chundie Zhao, Shuanghong Chen, Rahim Gradari, Wenjun Liu
Summary: In this study, a D-A-D type organic semiconductor with a bipyridine core was introduced to construct an efficient tunnel between perovskite and a hole transporting layer, resulting in improved performance of PSCs. The molecule facilitated band bending of perovskite and passivated uncoordinated Pb2+ defects in perovskite films. As a result, the hole mobility of the hole transporting layer increased, and the hole defect density decreased, leading to increased power conversion efficiency of the PSCs.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
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)
