Article
Chemistry, Physical
Alyssa J. R. Hensley, Jacob Bray, Junnan Shangguan, Ya-Huei (Cathy) Chin, Jean-Sabin McEwen
Summary: This study investigates the catalytic reactions of biomass-derived phenolics with H-2 on transition metal surfaces, revealing the influence of polar protic solvents on reaction pathways and energy barriers.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Physical
Johannes Halle, Nicolas Neel, Joerg Kroeger
Summary: The research reveals that graphene phonons can be excited by the local injection of electrons and holes from the tip of a scanning tunneling microscope. Both monolayer and bilayer graphene exhibit distinct phonon signatures in spectroscopy, with differences in phonon energies and the presence of a Dirac cone plasmon excitation in bilayer graphene.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Jia Guo, Rongsheng Cai, Eleonora Cali, George E. Wilson, Gwilherm Kerherve, Sarah J. Haigh, Stephen J. Skinner
Summary: A-site deficient double perovskite oxides are subjected to low-temperature reduction, resulting in the exsolution of nanoparticles. These nanoparticles exhibit diffusion-limited growth and consist of both nickel and ruthenium, making them rare bimetallic nanoparticles formed at such low temperatures. The reduced electrode layers show a significant decrease in area-specific resistance, indicating promising prospects for catalytic applications.
Article
Chemistry, Multidisciplinary
Baraa Werghi, Liheng Wu, Amani M. M. Ebrahim, Miaofang Chi, Haoyang Ni, Matteo Cargnello, Simon R. R. Bare
Summary: The synthesis of well-defined approximate to 2 nm Pt, PtSn, and Pt3Sn nanocrystals with distinct crystallographic phases using colloidal chemistry is reported. The activities and stabilities of hexagonal close packing (hcp) PtSn and face centred cubic (fcc) Pt3Sn are found to be different depending on the hydrogen-rich or poor environment. Fcc Pt3Sn/Al2O3 exhibits a unique phase transformation from fcc phase to L1(2)-ordered superlattice. The study provides fundamental understanding of the structure-performance relationship on emerging bimetallic systems.
Article
Chemistry, Applied
Pardeep Dahiya, Ankita Sarkar, Basker Sundararaju
Summary: An efficient method for forming C-N bonds via intramolecular amidation catalyzed by well-defined Cp*Co(N,O)I complexes is presented. The reaction is conducted under mild conditions and produces selectively regioselective amidation product without the use of a bulky counter anion or expensive fluorinated solvents. The Cp*Co(N,O)-I catalyst is highly effective for intramolecular benzylic, tertiary, and internal C(sp(3))-H bond amidation, but ineffective for intramolecular C(sp(2))-H bond amidation.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Chemistry, Physical
David Mahlberg, Sung Sakong, Axel Gross
Summary: This study investigates the meta-stability of surface alloy systems through kinetic Monte Carlo simulations based on density functional theory calculation. The analysis reveals the factors underlying the stability and structure of bimetallic surface alloys, offering new insights for tuning catalytic activity.
Correction
Chemistry, Multidisciplinary
Rosa Padilla, Sakhitha Koranchalil, Martin Nielsen
Summary: This study presents an efficient and selective hydrogenation method using well-defined Ru and Ir pincer complexes as catalysts.
Article
Multidisciplinary Sciences
Alexander H. Mason, Alessandro Motta, Anusheela Das, Qing Ma, Michael J. Bedzyk, Yosi Kratish, Tobin J. Marks
Summary: This study demonstrates the effectiveness of a catalyst in facilitating the rapid recycling of polyolefins under mild conditions, addressing the challenge of catalytic recycling of these materials. This research has significant implications for reducing plastic waste pollution.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Organic
Amit Kumar Guin, Subhasree Pal, Subhajit Chakraborty, Santana Chakraborty, Nanda D. Paul
Summary: A Ru(II)-catalyzed N-alkylation reaction of amines with C1-C10 aliphatic alcohols was described. The air-stable catalyst 1a exhibited wide functional group tolerance and high catalytic efficiency, requiring only low catalyst loading. Various N-methylated, N-ethylated, and N-alkylated amines were efficiently prepared. The reaction proceeded through a borrowing hydrogen transfer pathway and showed excellent chemo-selectivity.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
V. A. Kondratenko, U. Karimova, A. A. Kasimov, E. V. Kondratenko
Summary: This manuscript demonstrates the potential of catalysts containing tiny amounts of well-defined Rh, Ru or Pt nanoparticles supported on various substrates for partial oxidation or dry reforming of methane at high temperature. CO and CO2 are primary products of methane conversion in partial oxidation, with the rate of CO formation exceeding that of CO2.
APPLIED CATALYSIS A-GENERAL
(2021)
Article
Chemistry, Physical
Chang Liu, Jin Qian, Yifan Ye, Hua Zhou, Cheng-Jun Sun, Colton Sheehan, Zhiyong Zhang, Gang Wan, Yi-Sheng Liu, Jinghua Guo, Shuang Li, Hyeyoung Shin, Sooyeon Hwang, T. Brent Gunnoe, William A. Goddard, Sen Zhang
Summary: Efficient single-site Co catalysts supported on well-defined TiO2 nanorods were found to exhibit excellent performance in the oxygen evolution reaction (OER), with turnover frequencies among the highest reported for Co-based catalysts. Computational and experimental results showed good agreement in describing the catalytic reaction kinetics and mechanisms.
Article
Chemistry, Physical
Alexander M. Berezhkovskii, Sergey M. Bezrukov, Dmitrii E. Makarov
Summary: Two models of molecule translocation through a channel, with potential well and discrete site, yield identical translocation probabilities and mean translocation times when parameterized to have the same thermodynamic properties, but predict qualitatively different shapes of the translocation time distribution. The potential well model produces a narrower distribution than the model with a discrete site. Analysis beyond the mean translocation time distribution allows for differentiation between distinct translocation mechanisms.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Long-Zhang Dong, Yu Zhang, Yun-Feng Lu, Lei Zhang, Xin Huang, Jian-Hui Wang, Jiang Liu, Shun-Li Li, Ya-Qian Lan
Summary: A series of Li-CO2 battery cathode materials based on metal-organic frameworks with dual-metal sites have been reported, showing that Mn-coordinated pyrazole site promotes effective decomposition of Li2CO3, while Mn-metalloporphyrin site contributes to the activation of CO2. This study reveals natural catalytic sites for CO2 reduction/evolution reactions in Li-CO2 batteries using a crystalline cathode material with a well-defined structure under aprotic conditions.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Lars Mohrhusen, Tobias Egle, Jennifer D. Lee, Cynthia M. Friend, Robert J. Madix
Summary: The composition and distribution of Pd atoms on the surface of a PdAg single crystal were controlled by thermal treatments. Different distributions of Pd on the surface were found to have different effects on the dissociation and desorption of D2. Pd atoms rapidly segregated from the topmost surface to the near subsurface during annealing and diffused into the bulk on a slower time scale. Additionally, subsurface Pd was found to be able to adjust the chemical bonding of adsorbates on the surface.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Zhi Gao, Yulian Lai, Yuan Tao, Longhui Xiao, Liuxin Zhang, Feng Luo
Summary: The study proposed a novel method for the production and storage of ammonia through the electroreduction of nitrate using a specially designed metal-organic framework. The experimental results show that the framework has great potential and can achieve high yields. This technique opens up a new direction for advanced electrocatalysis.
ACS CENTRAL SCIENCE
(2021)
Article
Polymer Science
Andreas Hoffmann, Pablo Jimenez-Calvo, Joachim Bansmann, Volker Strauss, Alexander J. C. Kuehne
Summary: The carbonization of PAN by direct laser writing for on-chip microsupercapacitors is demonstrated. The process allows for converting PAN films into carbon electrodes and creating freestanding carbon electrodes by removing non-carbonized material.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Florian Klein, Joachim Bansmann, Zenonas Jusys, Claudia Pfeifer, Philipp Scheitenberger, Manuel Mundszinger, Dorin Geiger, Johannes Biskupek, Ute Kaiser, R. Juergen Behm, Mika Linden, Margret Wohlfahrt-Mehrens, Peter Axmann
Summary: Li-rich layered oxides (LRLO) are high-energy cathode materials that can reduce costs and environmental impact. A treatment strategy involving water, acid, and thermal treatment was applied to improve cycling behavior, but high temperature treatment led to structural changes and electrochemical deactivation.
Article
Chemistry, Multidisciplinary
James H. Carter, Ali M. Abdel-Mageed, Dan Zhou, David J. Morgan, Xi Liu, Joachim Bansmann, Shilong Chen, R. Jurgen Behm, Graham J. Hutchings
Summary: Supported gold nanoparticles are widely studied catalysts known for their high activity in the low temperature water-gas shift reaction. However, their practical application has been limited due to poor thermal stability. This study demonstrates that the deactivation process of the catalysts can be reversed by an oxidative treatment, restoring their catalytic activity.
Article
Biochemical Research Methods
Beatriz Fresco-Cala, Angela Lopez-Lorente, Alex D. Batista, Mehmet Dinc, Joachim Bansmann, R. Juergen Behm, Soledad Cardenas, Boris Mizaikoff
Summary: The development of synthetic particles that mimic real viruses is essential for the advancement of molecularly imprinted polymer-based sorbent materials. In this study, gold nanoparticles were synthesized and modified to serve as surrogates for adenovirus type 5. The successful attachment of the most abundant protein of the virus, hexon protein, to the surface of the nanoparticles was achieved through both non-covalent and covalent methods. This research demonstrates the importance of developing synthetic particles that closely resemble viruses for the development of advanced sorbent materials.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Michael Usselmann, Joachim Bansmann, Alexander J. C. Kuehne
Summary: Polyacrylonitrile (PAN) is commonly used as the precursor for carbon fibers and carbon materials. These carbon materials have high mechanical performance, excellent electrical conductivity and high surface area, making them suitable for various applications. However, the processing of PAN is limited to fibers, films, and non-wovens, which restricts its design freedom. In this study, a PAN-copolymer with intrinsic plasticizer is developed to enable melt extrusion-based additive manufacturing (EAM) and mold-free rapid prototyping.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Ali M. Abdel-Mageed, Bunyarat Rungtaweevoranit, Sarawoot Impeng, Joachim Bansmann, Jabor Rabeah, Shilong Chen, Thomas Haering, Supawadee Namuangrak, Kajornsak Faungnawakij, Angelika Brueckner, R. Juergen Behm
Summary: Elucidating the reaction mechanism of CO oxidation using a molecularly defined copper single-atom catalyst supported by UiO-66 metal-organic framework (Cu/UiO-66) was achieved through a combination of in situ/operando spectroscopies, kinetic measurements, and density-functional-theory-based calculations. The study identified the active site, reaction intermediates, and transition states of the dominant reaction cycle, as well as changes in oxidation/spin state during the reaction. The reaction involves the continuous dissociation of adsorbed O-2, leading to the formation of an O atom connecting the Cu center with a neighboring Zr4+ ion as the rate-limiting step.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Hanna Braun, Dariusz Mitoraj, Joanna Kuncewicz, Andreas Hellmann, Mohamed M. Elnagar, Joachim Bansmann, Christine Kranz, Timo Jacob, Wojciech Macyk, Radim Beranek
Summary: Polymeric carbon nitrides (PCN) are sustainable, tunable, non-toxic, and chemically stable materials that show great potential as photocatalysts for light-driven hydrogen peroxide production. However, most studies have used PCN powder suspensions and sacrificial electron donors. In this study, we report the first multicomponent hybrid photocathode based on PCN that can selectively reduce dioxygen to H2O2 under visible light irradiation. Our study demonstrates the intrinsic photocatalytic activity of PCN in H2O2 production and opens up possibilities for the development of more efficient PCN-based photocathodes.
APPLIED CATALYSIS A-GENERAL
(2023)
Article
Electrochemistry
Zenonas Jusys, R. Juergen Behm
Summary: Reversible Mg deposition/stripping and O-2 reduction/evolution reactions on a Pt film electrode immersed in neat and O-2-saturated 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (BMP-TFSI) electrolytes were studied using online differential electrochemical mass spectrometry (DEMS) and scanning electron microscopy/energy dispersed X-ray spectroscopy. The presence of Mg(TFSI)(2), Mg(BH4)(2), and the crown ether 18-c-6 as additives was also investigated. The results reveal a complex network of parallel reactions, including borohydride electro-oxidation, Mg deposition/stripping, and oxygen reduction/evolution, as well as electrolyte decomposition. These findings provide insights into the reactions occurring under these conditions and have implications for Mg-air battery applications.
Article
Electrochemistry
Katrin Forster-Tonigold, Florian Buchner, Axel Gross, R. Juergen Behm
Summary: By utilizing surface chemistry experiments and DFT calculations, this study investigates the initial stages of SEI formation in Na ion or Na metal batteries. The results reveal the interactions and reactions between a Na surface and the ionic liquid, leading to the formation of larger TFSI-based fragments and atomic adsorbates at the Na surface.
BATTERIES & SUPERCAPS
(2023)
Article
Electrochemistry
K. Forster-Tonigold, F. Buchner, J. Bansmann, R. J. Behm, A. Gross
Summary: By employing density functional theory calculations and X-ray photoelectron spectroscopy, the study identified products of the reaction between the ionic liquid BMP-TFSI and lithium to model the initial chemical processes in battery interphases. Lithium cyanide or cyanamide was found to be a possible stable product in the Li-poor regime, while LLN was stable in the Li-rich regime.
BATTERIES & SUPERCAPS
(2022)
Article
Materials Science, Multidisciplinary
Andreas Hoffmann, Matthias Uhl, Maximilian Ceblin, Felix Rohrbach, Joachim Bansmann, Marcel Mallah, Holger Heuermann, Timo Jacob, Alexander J. C. Kuehne
Summary: In this study, carbonization of polyacrylonitrile nanofiber nonwovens using an atmospheric pressure plasma jet was explored. The resulting carbon nanofiber nonwovens showed high conductivity and surface roughness, making them suitable for supercapacitor electrode applications with good capacitance performance.
C-JOURNAL OF CARBON RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
A. Lennart Schleper, Sabina Hillebrandt, Christoph Bannwarth, Andreas Mischok, Seonil Kwon, Florian Buchner, Francisco Tenopala-Carmona, R. Jurgen Behm, Felix D. Goll, Philipp J. Welscher, Michael Usselmann, Ulrich Ziener, Malte C. Gather, Alexander J. C. Kuehne
Summary: Exciplexes formed by BTP isomers and TCTA were found to exhibit thermally activated delayed fluorescence (TADF). The nitrogen position in the pyridine of the BTP molecule was found to influence the optical and electronic properties of the exciplex. The molecular arrangement of the complex was studied using various techniques, and OLEDs with moderate external quantum efficiencies were fabricated.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Electrochemistry
Ananyo Roy, Vinayan Bhagavathi Parambath, Thomas Diemant, Gregor Neusser, Christine Kranz, R. Juergen Behm, Zhenyou Li, Zhirong Zhao-Karger, Maximilian Fichtner
Summary: In this study, the interaction between the magnesium (Mg) metal anode and chloride (Cl)-free electrolyte was investigated. The results showed the formation of a solid interphase layer, which played a crucial role in the reversible stripping and plating of Mg in a full-cell configuration. This study provides fundamental insights into the interfacial phenomena between Mg anode and Cl-free electrolyte.
BATTERIES & SUPERCAPS
(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)
