Article
Chemistry, Physical
Yu Liang, Mark Douthwaite, Xiaoyang Huang, Binbin Zhao, Qiong Tang, Lei Liu, Jinxiang Dong
Summary: In this study, we developed an efficient method for depositing Pt particles on FeOx/SBA-15, using Pt-0-DVTMS precursor, and demonstrated its high performance and selectivity in the chemoselective hydrogenation of alpha,beta-unsaturated aldehydes. The research also showed the significant influence of metal support interactions on the selectivity and activity of the catalyst.
Article
Energy & Fuels
Jin Zhang, Mengting Gao, Pengqi Zhu, Yunwei Wang, Ruiyi Wang, Zhanfeng Zheng
Summary: This study developed an oxygen vacancy enriched MgAl-layered double hydroxide supported Co3O4 nanoparticle photocatalyst, which showed excellent catalytic performance under visible light irradiation, achieving high conversion and high selectivity in the hydrogenation reaction.
Article
Chemistry, Organic
Chen Chen, Jun Ge, Ling He
Summary: In this study, alpha,beta-unsaturated gem-diazides were selectively synthesized using Yb(TfO)(3) as a catalyst and alpha,beta-unsaturated aldehydes as substrates. The obtained compounds showed potential for synthesis of other organic compounds and exhibited promising anticancer activity.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Physical
Haishuai Cui, Xiaoqing Liao, Yufan Ren, Yang Zhou, Jing Xiao, Renjie Deng, Yang Lv, Huajie Liu, Pingle Liu, Hai Yang
Summary: In this article, a facile strategy is proposed to synthesize oxygen-defect-rich Co3O4@NC porous nanorods. These materials are proven to have FLPs sites. The oxygen-defect-rich Co3O4@NC exhibits high selectivity and catalytic performance towards cinnamaldehyde.
JOURNAL OF CATALYSIS
(2023)
Article
Engineering, Environmental
Cun Liu, Peng Zhu, Jinshan Wang, Haiou Liu, Xiongfu Zhang
Summary: The authors designed a catalyst with Pt nanoparticles embedded in a zeolitic microchannel to achieve selective hydrogenation of α,β-unsaturated aldehydes. The confinement effect in the microchannel enhances the adsorption and hydrogenation of the C=O group, leading to high yields and selectivities of unsaturated alcohols. The study also demonstrated the importance of molecular size and electronic effects in controlling the selectivity of the hydrogenation reaction.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Organic
Ajay Sharma, Satyendra Kumar Pandey
Summary: A novel and metal-free tandem approach for synthesizing alpha-substituted (E)-alpha,beta-unsaturated aldehyde derivatives has been developed, which involves acid-catalyzed epoxide rearrangement and organocatalyzed aldol condensation processes. This method exhibits a broad substrate scope and mild reaction conditions, resulting in moderate to high yields. Examples of large-scale reactions and the synthesis of bioactive molecules demonstrate the potential applicability of this method.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Sudakar Padmanaban, Gunniya Hariyanandam Gunasekar, Sungho Yoon
Summary: In this study, a heterogeneous, pincer-type Ru porous organometallic polymer (Ru-Macho-POMP) with a high surface area was prepared via direct heterogenization of a commercially available homogeneous pincer-type complex, Ru-Macho, using dichloromethane as the cross-linker through a Lewis acid-catalyzed Friedel-Crafts reaction. The Ru-Macho-POMP catalyst demonstrated high turnover frequency (TOF = 920 h(-1)), high turnover number (TON = 2750), high chemoselectivity (99%), and recyclability during the selective hydrogenation of alpha, beta-unsaturated carbonyl compounds.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Sheng Zhang, Wenchao Gao, Jianxue Shi, Jingjing Li, Fengyi Li, Yating Liang, Xuan Zhan, Man-Bo Li
Summary: An umpolung addition of dicyanobenzene to alpha,beta-unsaturated alkenes has been developed using an electroreductive strategy. The electrochemical protocol is compatible with challenging substrates, and good regioselectivities are observed in the reaction. The synthetic utility of this electrochemical approach is demonstrated by direct functionalization of two compounds.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Organic
Sigrid A. Kiledal, Roxane Jourdain, Sreekumar Vellalath, Daniel Romo
Summary: An enantioselective three-component reaction was developed for the synthesis of tetrahydropyridazinones, delivering optically active products with unexpected rearrangements explored. The use of allyl methyl malonate introduced a second stereocenter during subsequent transformations.
Article
Chemistry, Multidisciplinary
Bin Chen, Xin Yang, Yinan Xu, Siyuan Hu, Xiaoli Zeng, Yiping Liu, Kok Bing Tan, Jiale Huang, Guowu Zhan
Summary: Researchers designed a sandwich-structured nanocatalyst for highly selective hydrogenation of unsaturated aldehydes to unsaturated alcohols. The nanocatalyst consisted of accessible platinum nanoparticles sandwiched between MOF layers. The results showed that the sandwich structure enhanced both selectivity and catalytic activity compared to conventional Pt catalysts.
Article
Chemistry, Organic
Kristina C. Probasco, Michael P. Jennings
Summary: The NXS-mediated halogenation reaction of (E)-alpha-trimethylsilyl-beta-alkyl(aryl)-alpha,beta-unsaturated esters in DMF resulted in the formation of (Z)-beta-substituted-alpha-halogenated-alpha,beta-unsaturated ester products with moderate to high yields. The reaction mechanism involves an initial halonium cation intermediate and regioselective ring opening with DMF, leading to the stereoselective formation of vinylic bromo- and chloroesters.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Nidhi Garg, Hari Prasaad Somasundharam, Pardeep Dahiya, Basker Sundararaju
Summary: The described system presents an ideal and user-friendly protocol for chemoselective homogeneous hydrogenation of alpha,beta-unsaturated ketones using methanol as a liquid organic hydrogen carrier at room temperature. Excellent yields were achieved using an in situ-prepared phosphine-free Cp*Ir(iii)/bipyridonate complex. Chemoselective reduction with other reducible functionalities and late-stage functionalization were also investigated.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Organic
Guo-Li Chai, Xiao Wang, Ya-Jing Hou, Wen-Hui Ren, Junbiao Chang
Summary: A highly efficient asymmetric inverse-electron-demand aza-Diels-Alder reaction catalyzed by the (R)-3,3'-I-2-BINOL-boron-complex was developed for the synthesis of fused piperidine derivatives bearing stereogenic carbon containing CF3 motifs. This method exhibited mild reaction conditions, high efficiency, and high stereoselectivity, yielding products in high yields with excellent diastereo- and enantioselectivities.
Article
Chemistry, Multidisciplinary
Qinglin Liu, Qian Liu, Yurong Chen, Yinle Li, Hui Su, Qinghua Liu, Guangqin Li
Summary: The selective hydrogenation of alpha,beta-unsaturated aldehyde to unsaturated alcohol is a significant transformation. In this study, iridium nanoclusters confined within hollow MIL-101(Fe) exhibited high reaction activity and selectivity for cinnamaldehyde hydrogenation. The hollow structure of MIL-101(Fe) facilitated fast reactant transport and improved catalyst recyclability. Furthermore, the interactions between Ir nanoclusters and MIL-101(Fe) as well as the Lewis acid sites in MIL-101(Fe) contributed to the high selectivity of the desired product.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Mengyuan Chen, Yuchen Liang, Taotao Dong, Weijian Liang, Yanping Liu, Yage Zhang, Xin Huang, Lichun Kong, Zhi-Xiang Wang, Bo Peng
Summary: The study merged the Morita-Baylis-Hillman (MBH) reaction and the [3,3]-sigmatropic rearrangement to achieve the [3,3]-rearrangement of aryl sulfoxides with alpha,beta-unsaturated nitriles, offering a new approach to prepare alpha-aryl alpha,beta-unsaturated nitriles with Z-selectivity. Control experiments and DFT calculations support a four-stage reaction sequence, including assembly, Lewis base addition, rearrangement, and E1cB-elimination, explaining the remarkable Z-selectivity of the reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Applied
Cristina Martinez, Alejandro Vidal-Moya, Bilge Yilmaz, C. P. Kelkar, Avelino Corma
Summary: Fluidized Catalytic cracking (FCC) is a main conversion process in refineries, using Y zeolite as the main source of activity and selectivity. A new Y zeolite catalyst, Phinesse(TM), based on partial substitution of RE by P, has been developed and shown to have similar performance to the conventional RE stabilized counterpart. The hydrothermal stability of different USYs with different dealumination degrees, containing P or La alone or a combination of both stabilizing elements, was compared. The results provide insights into the benefits of P-La stabilization observed in the commercial PhinesseTM catalyst.
Review
Chemistry, Multidisciplinary
Lichen Liu, Avelino Corma
Summary: This review discusses the structure, synthesis, and catalytic applications of heterogeneous bimetallic catalysts, including binuclear sites, nanoclusters, and nanoparticles. Recent progress in the field of bimetallic catalysts is highlighted, along with the future research directions and prospects in both fundamental and practical aspects of heterogeneous catalysis.
Article
Computer Science, Artificial Intelligence
Jose J. Calvino, Elena Fernandez, Miguel Lopez-Haro, Juan M. Munoz-Ocana, Antonio M. Rodriguez-Chia
Summary: This paper introduces an l(1)-norm model based on Total Variation Minimization for tomographic reconstruction. The reconstructions produced by this model are more accurate than classical reconstruction models based on the l(2)-norm. The model can be linearized and solved using linear programming, and the dimension of the formulation can be further reduced by exploiting complementary slackness conditions.
EXPERT SYSTEMS WITH APPLICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Estefan Tiburcio, Yongkun Zheng, Cristina Bilanin, Juan Carlos Hernandez-Garrido, Alejandro Vidal-Moya, Judit Oliver-Meseguer, Nuria Martin, Marta Mon, Jesus Fernando-Soria, Donatella Armentano, Antonio Leyva-Perez, Emilio Pardo
Summary: This study reports the characterization of a combination of well-defined Fe3+ isolated single-metal atoms and Ag2 subnanometer metal clusters within a metal-organic framework. The resulting material exhibits superior catalytic activity for the direct conversion of styrene to phenylacetylene.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Carmen Tebar-Soler, Vlad Martin-Diaconescu, Laura Simonelli, Alexander Missyul, Virginia Perez-Dieste, Ignacio J. Villar-Garcia, Jean-Blaise Brubach, Pascale Roy, Miguel Lopez Haro, Jose Juan Calvino, Patricia Concepcion, Avelino Corma
Summary: The utilization of CO2 as a carbon source and surplus renewable energy for generating methane fuel allows for the decarbonization and substitution of fossil fuels. A solid catalyst synthesized using a mild hydrothermal synthesis method exhibits excellent catalytic activity and selectivity for methane conversion at lower temperatures than conventional catalysts, with long-term stability. This catalyst can operate under intermittent power supply conditions, making it compatible with renewable energy-based electricity production systems.
Article
Multidisciplinary Sciences
Pau Ferri, Chengeng Li, Daniel Schwalbe-Koda, Mingrou Xie, Manuel Moliner, Rafael Gomez-Bombarelli, Mercedes Boronat, Avelino Corma
Summary: Approaching the level of molecular recognition of enzymes with solid catalysts is a challenging goal, achieved in this work for the competing transalkylation and disproportionation of diethylbenzene catalyzed by acid zeolites. The key diaryl intermediates for the two competing reactions only differ in the number of ethyl substituents in the aromatic rings, and therefore finding a selective zeolite able to recognize this subtle difference requires an accurate balance of the stabilization of reaction intermediates and transition states inside the zeolite microporous voids.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Beatriz Amaya Dolores, Andres Ruiz Flores, Andres Nunez Galindo, Jose Juan Calvino Gamez, Juan F. Almagro, Luc Lajaunie
Summary: The gold dust defect (GDD) is a surface defect that affects ferritic stainless steels (FSS) and degrades their appearance. This study used advanced analysis techniques to investigate the nature and origin of this defect. The results showed that the GDD leads to strong textural, chemical, and microstructural heterogeneities, and the addition of aluminium improves the resistance to this defect.
Article
Chemistry, Physical
Jose Marqueses-Rodriguez, Ramon Manzorro, Justyna Grzonka, Antonio Jesus Jimenez-Benitez, Lionel Cervera Gontard, Ana Belen Hungria, Jose Juan Calvino, Miguel Lopez-Haro
Summary: This study presents a deep learning pipeline that combines multiple neural networks optimized for different image-processing tasks, enabling accurate 3D nanometrology of nanometer-sized particles of light metals in catalysts. The pipeline effectively discriminates nanoparticles from the support and extracts catalytically relevant structural information.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Sergio Sanz-Navarro, Jordi Ballesteros-Soberanas, Aaron Martinez-Castello, Antonio Domenech-Carbo, Juan Carlos Hernandez-Garrido, Jose Pedro Ceron-Carrasco, Marta Mon, Antonio Leyva-Perez
Summary: This study provides evidence that soluble starting Ru sources evolve into catalytically active peralkene Ru(II) species under reaction conditions, which may also explain the isomerization products found during other Ru-catalyzed alkene processes. A Finke-Watzky mechanism for catalyst formation is consistent with the evidence obtained.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Yongkun Zheng, Alejandro Vidal-Moya, Juan Carlos Hernandez-Garrido, Marta Mon, Antonio Leyva-Perez
Summary: Commercially available zeolite Y has been used to modulate the catalytic activity and selectivity of ultrasmall silver species during the Buchner reaction and the carbene addition. By exchanging the counter cations of the zeolite framework, the zeolite acts as a macroligand to tune the silver catalytic site. This cheap and recyclable solid catalyst enables the in situ formation of carbenes and selective insertion into C-H and C-O bonds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Miriam Rodenes, Frederic Dhaeyere, Santiago Martin, Patricia Concepcion, Avelino Corma, Ivan Sorribes
Summary: A defect-engineered molybdenum sulfide catalyst is used to establish straightforward synthetic processes using alcohols. Developing tandem catalytic strategies based on readily available, stable, and renewable feedstocks is crucial for sustainable chemical industries. The catalyst, defect-engineered basal planes of a molybdenum sulfide nanomaterial ({Mo3S4}( n )), enables one-pot single-step synthesis and facilitates various coupling reactions involving alcohol dehydrogenation and hydrogen activation processes.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Physical
Miguel A. Rivero-Crespo, Paula Rubio-Marques, Juan Carlos Hernandez-Garrido, Marta Mon, Judit Oliver-Meseguer, Antonio Leyva-Perez
Summary: The use of bimetallic nanoparticles as catalysts in complex organic synthesis is rare, despite their widespread use in thermal C-1 chemistry and electrocatalysis. In this study, researchers demonstrate that intimate RuPt nanoalloys, supported on charcoal, can efficiently catalyze the synthesis of secondary and tertiary amines from various amino derivatives. The organic reactions include direct hydrogenation reactions and hydrogen-borrowing couplings, allowing for one-pot synthesis of desired amines from readily available materials.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Physical
Paloma Mingueza-Verdejo, Juan Carlos Hernandez-Garrido, Alejandro Vidal-Moya, Judit Oliver-Meseguer, Antonio Leyva-Perez
Summary: Simple aluminosilicates, such as NaX and NaY zeolites, can catalyze the selective halogen exchange reaction between different alkyl organohalides without any additives or solvents. By heating at 130 degrees C with a small amount of solid catalyst, new organohalides are produced in good yields, tolerating different functional groups. Mechanistic studies reveal the importance of zeolite oxygen atoms and countercations in facilitating the reaction.
CATALYSIS SCIENCE & TECHNOLOGY
(2023)
Article
Automation & Control Systems
Justyna Grzonka, Jose Marqueses-Rodriguez, Susana Fernandez-Garcia, Xiaowei Chen, Jose J. Calvino, Miguel Lopez-Haro
Summary: By utilizing a nanostructured platform and conventional wet impregnation techniques, powder-type materials with atomically thin surface layers have been successfully prepared under mild conditions. A combination of STEM-EDX ET and deep learning denoising techniques allows for the 3D compositional characterization of these unique nanosystems. The study focuses on LaOx-coated CeO2 nanocubes and reveals uneven distribution of a 2-4 atom-thick layer on the nanocube surface.
ADVANCED INTELLIGENT SYSTEMS
(2023)
Article
Chemistry, Multidisciplinary
Lidia Chinchilla, Ramon Manzorro, Carol Olmos, Xiaowei Chen, Jose J. Calvino, Ana B. Hungria
Summary: Using Identical Location Scanning Transmission Electron Microscopy (IL-STEM), the evolution of the structure and composition of bimetallic catalysts in different reducing and oxidizing environments was studied. The oxidizing environment showed a greater capacity to mobilize metals, especially Au. Storage conditions also had a significant impact on the catalysts. Bimetallic systems exhibited better thermal resistance.
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)
