Article
Chemistry, Physical
Youshan Yang, Lusheng Wang
Summary: The electronic structures of Zr8Co8 and its hydrides were systematically investigated, and the influence of Ti and Hf doping on the atomic bonding properties was studied. The results show that Ti and Hf doping can improve the hydrogenation performance of Zr8Co8.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Green & Sustainable Science & Technology
Yongfeng Liu, Wenxuan Zhang, Xin Zhang, Limei Yang, Zhenguo Huang, Fang Fang, Wenping Sun, Mingxia Gao, Hongge Pan
Summary: Hydrogen storage remains a huge challenge for the development of a sustainable energy system, despite its importance. Light metal hydrides have high hydrogen densities but suffer from slow kinetics and poor reversibility due to strong bonds between metal atoms and hydrogen. Nanoscale particles offer a promising solution to tailor the properties of light metal hydrides and improve their performance. This review summarizes the preparation methods and hydrogen storage performance of nanostructured light metal hydrides, discusses the challenges, and explores future research prospects, highlighting the combination of nanostructuring and nanocatalysis for practical hydrogen carriers.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2023)
Review
Chemistry, Physical
Thi Thu Le, Claudio Pistidda, Van Huy Nguyen, Pardeep Singh, Pankaj Raizada, Thomas Klassen, Martin Dornheim
Summary: This review discusses the progress in using metal hydrides and complex metal hydrides as solid-state hydrogen storage materials, as well as improving their performance through nanoconfinement. Researchers believe that magnesium hydride and lithium borohydride are promising solid-state hydrogen storage materials, but issues of thermodynamic stability and kinetics need to be addressed.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Karsten Mueller
Summary: This study discusses the possibility of reversible hydrogenation of nitriles to amines under mild conditions. Through thermodynamic analysis, it is found that the thermodynamic driving force for dehydrogenation of amines at 110 degrees C is insufficient to achieve reasonable conversions. By adding nitrogen to dilute hydrogen, near-vacuum conditions can be simulated to shift the equilibrium towards the products.
Article
Energy & Fuels
Muhammad Irfan, Sikander Azam, Tuan V. Vu, Souraya Goumri-Said
Summary: The optoelectronic properties and hydrogen storage capacity of Mg(0.915)A(0.085)H(2) (A = Ti, Fe) compounds were explored using density functional theory calculations and complex dielectric function analysis, showing semiconductor behavior and high hydrogen storage capacities for both compounds.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Nanlin Xu, Yan Chen, Shanjun Chen, Weibin Zhang, Song Li, Ruijie Song, Jingyi Zhang
Summary: This study comprehensively investigates the properties of new perovskite hydrides XVH3 using density functional theory (DFT). The results show that XVH3 compounds have thermodynamic and mechanical stability, and they are brittle materials. The bonding type of these compounds is closer to ionic bonding, and they are insulators with ferromagnetic properties. Furthermore, these compounds exhibit high absorption rates in the ultraviolet region.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Physical
Xiaohua Mo, Jianqiao Liang, Wenhan Wang, Weiqing Jiang
Summary: The study reveals that Co modification can lower the hydrogen dissociation energy of Li4BN3H10, facilitating dehydrogenation reactions. The formation of Co-B bonds and BeN bonds also contribute to the reaction. However, doping Co into Li4BN3H10 increases the energy cost, which needs to be reduced for practical applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Review
Chemistry, Physical
Changhyo Sun, Chenxi Wang, Taejun Ha, Joonho Lee, Jae-Hyeok Shim, Yunseok Kim
Summary: Increasing demand for renewable and clean energy due to environmental pollution and energy consumption has led to increased attention towards hydrogen storage materials. These materials have high safety and large volumetric density for hydrogen storage, making them suitable for large-capacity and long-term energy storage capability. Various characterization techniques have been used to understand the mechanisms of hydrogen absorption and desorption, with a recent focus on local characterization techniques to study surface and nanostructural interface effects. This article reviews the application of these characterization techniques in exploring hydrogen storage materials.
Review
Chemistry, Physical
N. A. Ali, N. A. Sazelee, M. Ismail
Summary: Metal hydrides and complex hydrides are the most convenient method for hydrogen storage, offering high hydrogen capacity, but facing challenges of high operating temperature and low reversibility.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Mahvash Afzal, Nandlal Gupta, Aashish Mallik, K. S. Vishnulal, Pratibha Sharma
Summary: This study continues the computational analysis of a reactor with hexagonal honeycomb-based heat transfer enhancements, investigating the performance of a metal alloy and the reactor experimentally. It determines the gravimetric capacity and reaction kinetics of the alloy La0.9Ce0.1Ni5, while also exploring the impact of operating conditions on reactor performance. Additionally, evaporative cooling is tested for the first time as a heat removal technique for metal hydride based hydrogen storage reactors and found to significantly improve heat transfer.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Nozomi Noto, Shigehito Isobe, Naoyuki Hashimoto
Summary: The research evaluated the dehydrogenation properties of several hydride-hydroxide systems and found that only the KH-LiOH system showed potential for reversible hydrogen adsorption/desorption, although rehydrogenation would require extremely high pressure.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Lixin Xiong, Hewen Wang, Shicheng Yu, Wan Xiong, Chuying Ouyang
Summary: The 2D g-Mg3N2 is identified as a promising candidate material for hydrogen storage due to its intrinsically existing uniform periodic vacancies and light metal ions. The hydrogen storage mechanism shows very good reversibility, high efficiency in storage and release, and excellent cycling performance in practical applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Review
Materials Science, Multidisciplinary
Xin F. Tan, Manjin Kim, Kazuhiro Yasuda, Kazuhiro Nogita
Summary: Bulk Mg-based hydrogen storage materials have the potential to provide a low-cost solution for energy storage and transportation. They are safer and more oxidation resistant compared to nano powders. Various alloying elements and innovative processing methods can be used to improve the performance of bulk Mg alloys in terms of hydrogen sorption kinetics and stability.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
R. S. Jin, J. Zhang, X. J. Zhou, S. X. Pan, J. H. He, J. N. Chen, X. Z. Lu, X. M. Chen, D. W. Zhou
Summary: In this study, the microstructures and hydrogen storage properties of Mg-Y-Zn alloys with different Zn content were systematically investigated. The results indicate that the formation of LPSO phases increases with higher Zn content, mainly located at the grain boundaries. The distribution of YH2/YH3 hydrides in these alloys becomes non-uniform due to the higher concentration at grain boundaries with increasing Zn content, resulting in poorer hydrogen storage performance.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Boris P. Tarasov, Pavel V. Fursikov, Alexey A. Volodin, Mikhail S. Bocharnikov, Yustinas Ya Shimkus, Aleksey M. Kashin, Volodymyr A. Yartys, Stanford Chidziva, Sivakumar Pasupathi, Mykhaylo V. Lototskyy
Summary: This article provides an overview of literature data and R&D activities on energy storage technologies using hydrogen and metal hydrides, with a focus on selecting metal hydride materials based on AB(5)- and AB(2)-type intermetallic compounds for hydrogen storage and compression applications. It also discusses features of integrated energy storage systems utilizing metal hydride hydrogen storage and compression components developed by IPCP and HySA Systems.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Engineering, Environmental
Ji Min Han, Sang Eun Yoon, Ku Hyun Jung, Onyu Bae, Donguk Kim, Unjeong Kim, Hyungtak Seo, Felix Sunjoo Kim, Ki Chul Kim, Jong H. Kim, Bong-Gi Kim
Summary: This study synthesized a new conjugated polymer with efficient doping using both electron acceptor and Lewis acid type dopants, achieving high electrical conductivities. The interaction between the electron-donating atoms in the doped polymer and the dopants influenced the conductive properties and stability.
CHEMICAL ENGINEERING JOURNAL
(2022)
Review
Chemistry, Physical
Siddarth K. Achar, Jacob J. Wardzala, Leonardo Bernasconi, Linfeng Zhang, J. Karl Johnson
Summary: This study proposes a hybrid potential approach that combines accurate machine learning atomistic potentials with classical potentials to model the diffusion of adsorbates in metal-organic frameworks. By using an accurate deep learning potential and Lennard-Jones potentials, the diffusivities of adsorbates can be accurately computed without the need for refitting. This approach allows for modeling the response of the adsorbent to the presence of the adsorbate, and can be applied to other frameworks and adsorbates.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Nanoscience & Nanotechnology
Siddarth K. K. Achar, Leonardo Bernasconi, Ruby I. I. DeMaio, Katlyn R. R. Howard, J. Karl Johnson
Summary: Development of new materials for anhydrous proton conduction is crucial for improving fuel cell performance. Atomistic simulations show that graphanol can efficiently conduct protons without water. A deep learning potential (DP) for graphanol is developed, providing accurate predictions with reduced computational cost. The mechanism of proton conduction on graphanol surface is proposed and tested, revealing the importance of Grotthuss chains and hydroxyl group rotation in proton transport.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Siku Choi, Songi Song, Yeongnam Ko, Ki Chul Kim
Summary: This study investigates the effects of the redox-active site type and the bridging style on the structural integrity and intrinsic redox activity of organic complexes. The findings provide insights for the design of insoluble organic cathode materials that can sustain high performance and structural durability.
Article
Materials Science, Multidisciplinary
Hyungu Han, Chae Young Go, Ki Chul Kim
Summary: This study systematically explores the structural, electronic, and electrochemical properties of a series of transition metal-doped, Li-excessive, layered Li2NiO2 materials. The incorporation of Cr dopant with electronically suitable d orbitals is revealed to be the best choice to design high-voltage Li2NiO2 cathode materials with little sacrifice of energy density and structural stability. Further investigation highlights that the d-orbital based design of a proper dopant would be a key strategy to develop Li2NiO2-based cathode materials with high-performance battery applications.
CURRENT APPLIED PHYSICS
(2023)
Article
Engineering, Chemical
Jeong Pil Kim, Chae Young Go, Junhyeok Kang, Yunkyu Choi, Ju Yeon Kim, Jiwon Kim, Ohchan Kwon, Ki Chul Kim, Dae Woo Kim
Summary: Nanoporous multilayer graphene oxide membranes were fabricated to achieve Li-ion selectivity. The influence of interlayer spacing and nanopore presence on ion separation performance was investigated. The NMG membrane showed different ion permeance depending on ion concentration, with faster permeation rate of divalent ions and Li-ion selectivity at high ionic strength.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Chemistry, Physical
Priyanka B. Shukla, Prakash Mishra, Tunna Baruah, Rajendra R. Zope, Koblar A. Jackson, J. Karl Johnson
Summary: Density functional theory (DFT) has self-interaction errors (SIEs) that result in the underestimation of reaction barrier heights. The Perdew-Zunger self-interaction correction (PZSIC) and locally scaled self-interaction correction (LSIC) improve the prediction of barrier heights, with LSIC being more accurate on average. The hypothesis is that the contribution of the self-interaction correction (SIC) to the reaction barrier mainly comes from a limited number of orbitals directly involved in bond-breaking and bond-making in the transition state.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Materials Science, Ceramics
Do -Young Go, Dae-Han Lee, Dong-Geun Lee, Jae Seung Seol, Ki Chul Kim, Sungki Lim
Summary: Cesium-doped BASEs were prepared to improve the wettability of molten sodium in Na/NiCl2 batteries. The properties, such as ionic conductivity, were studied. The addition of cesium affected the crystal phase formation, relative sintered density, and ionic conductivities.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Multidisciplinary Sciences
Junhyeok Kang, Yeongnam Ko, Jeong Pil Kim, Ju Yeon Kim, Jiwon Kim, Ohchan Kwon, Ki Chul Kim, Dae Woo Kim
Summary: Layered two-dimensional materials with interlayer structures can be used for organic solvent nanofiltration (OSN) membranes due to their precise molecular sieving ability and stability in harsh conditions. In this study, nanoporous graphene (NG) with a high density of sp(2) carbon domains was synthesized by microwave treatment and showed ultrafast organic solvent permeance and excellent stability. The membrane's molecular weight cut-off (MWCO) can be switched depending on the solvent type, allowing for the separation of multiple organic mixtures using a single membrane.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Chinmay V. V. Mhatre, Jacob J. J. Wardzala, Priyanka B. B. Shukla, Mayank Agrawal, J. Karl Johnson
Summary: The UiO-6x family of metal-organic frameworks has been extensively studied for applications in chemical warfare agent capture and destruction. By simulating the diffusion mechanism of isopropanol (IPA) in pristine UiO-66, we found that accurate modeling of hydrogen bonding interactions is crucial for diffusion coefficients.
Article
Chemistry, Multidisciplinary
Min Kyu Choi, Ki Chul Kim
Summary: In this study, a reliable prediction protocol for the dielectric strengths of a broad array of perfluorocarbon (PFC) and non-PFC compounds is developed through the combination of systematic linear regression and computational calculations of relevant core factors. The core factors include polarizability, molecular weight, ionization energy, and HOMO-LUMO gap.
APPLIED SCIENCES-BASEL
(2023)
Article
Engineering, Environmental
P. Anil Kumar Reddy, Hyungu Han, Ki Chul Kim, Sungjun Bae
Summary: We synthesized a nanocomposite of 2D reduced graphene oxide (rGO) and 3D graphitic carbon (gC) embedded CoS2@gC/rGO as an anode material for supercapacitors. The composition of the composite was controlled by changing the calcination temperatures of the rGO sandwiched ZIF-67. The CoS2@gC/rGO composite exhibited high specific capacitance and cyclic stability, and was used to fabricate an all-solid-state asymmetric supercapacitor device with excellent performance.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Songi Song, Ki Chul Kim
Summary: This study investigates the structural stability and thermodynamic degradation probabilities of selected fluorocarbon compounds as alternative insulating gases. It reveals that these compounds are suitable insulation candidates under vacuum conditions, but the presence of specific impurity gases may compromise their stability.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
Mark R. Pederson, Kushantha P. K. Withanage, Zahra Hooshmand, Alex I. Johnson, Tunna Baruah, Yoh Yamamoto, Rajendra R. Zope, Der-You Kao, Priyanka B. Shukla, J. Karl Johnson, Juan E. Peralta, Koblar A. Jackson
Summary: Achille's heel of lower-rung density-functional approximations is the positive energy levels of stable or metastable anions, which is addressed in this study through crowd sourcing and the use of self-consistent FLOSIC calculations. The results show a correct description of the electronic structure of the trianion and water, and the FLOSIC method effectively reverses incorrect charge transfer in the trianion-water complex.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Jae Seung Seol, Seungho Yu, Ki Chul Kim
Summary: Despite the broad range of inorganic cathode materials developed to date, there is a lack of studies on the correlation between the electronic structure and performance. This study suggests that the symmetricity/asymmetricity of e(g)/t(2g) orbitals in redox-active elements is crucial in determining the Jahn-Teller distortion of LiM0.125Mn1.875O4 spinel-type cathode materials. The presence of Mn3+ ions during the discharging process leads to poor structural durability and electrochemical performance, and this limitation can be overcome by adding carefully selected Ni2+ dopants.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
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)