Article
Biochemistry & Molecular Biology
Nghia Tuan Duong, Zhehong Gan, Yusuke Nishiyama
Summary: Accurate distance measurements between proton and nitrogen can provide detailed information on the structures and dynamics of various molecules. By combining N-14 overtone (OT) NMR spectroscopy with REDOR/RESPDOR, the feasibility of selective H-1-N-14 distance measurements is explored, and the extracted distances are in good agreement with those determined by PM-RESPDOR and diffraction techniques.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Article
Chemistry, Physical
Racha Bayzou, Julien Trebosc, Ivan Hung, Zhehong Gan, Olivier Lafon, Jean-Paul Amoureux
Summary: Recently, the T-hetero-nuclear multiple quantum coherence (T-HMQC) sequence using the TRAPDOR recoupling has been introduced for the indirect detection of quadrupolar nuclei via protons in solids. The sequence is simple and has low noise, making it applicable for detecting nuclei subject to large chemical shift anisotropy. The study also presents a proton detection method for double-quantum coherences of N-14 nuclei using this sequence. The article derives the Hamiltonian describing the spin dynamics during the TRAPDOR recoupling and analyzes the factors affecting the efficiency of the T-HMQC sequence.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Biochemical Research Methods
Ben P. Tatman, Haritosh Modha, Steven P. Brown
Summary: This study compares the effectiveness of two classes of recoupling schemes for restoring the 1H -14N dipolar coupling. The TRAPDOR method shows better sensitivity, but is sensitive to the 14N transmitter offset.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Biochemical Research Methods
Gal Porat-Dahlerbruch, Tatyana Polenova
Summary: Chemical shift tensors (CSTs) are important for studying structure and dynamics. The R-symmetry pulse sequences (RNCSA) efficiently recouple CSTs in MAS NMR experiments. In this study, we introduce a dual channel R-symmetry pulse sequence (DORNE-CSA) for simultaneously recording CSTs of two different nuclei. We demonstrate its performance using 13C and 15N CSTs in a labeled microcrystalline L-histidine. The DORNE-CSA method is robust, accurate, and saves time compared to traditional methods.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Chemistry, Physical
Elie Belorizky, Pascal H. Fries
Summary: This theoretical study explores the relationship between the longitudinal quadrupole relaxation rate enhancement (QRE) of H-1 nucleus and the time fluctuations of the local dipolar magnetic field created by N-14 nucleus, using correlation functions G(AA)(t). The QRE is represented as a combination of Lorentzian peaks with specific frequencies and decay times according to the theory.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Review
Chemistry, Multidisciplinary
Wing Ying Chow, Gaël De Paepe, Sabine Hediger
Summary: Solid-state NMR spectroscopy with magic-angle spinning enables the investigation of biological systems in their native context. However, low sensitivity due to the presence of other molecular species and the challenge of detecting low concentration species limit the feasibility of certain investigations. By applying dynamic nuclear polarization (DNP), the experimental time required can be significantly reduced, broadening the scope of biological solid-state NMR applications.
Review
Chemistry, Multidisciplinary
Wing Ying Chow, Gael De Paepe, Sabine Hediger
Summary: Solid-state NMR spectroscopy with magic-angle spinning allows for the study of biological systems in their native context, but sensitivity issues can be a challenge. Dynamic nuclear polarization can overcome this challenge, significantly reducing experimental time and expanding the range of applications.
Article
Chemistry, Multidisciplinary
Sergey Korchak, Lukas Kaltschnee, Riza Dervisoglu, Loren Andreas, Christian Griesinger, Stefan Gloeggler
Summary: Nuclear magnetic resonance is often limited by low sensitivity, but hyperpolarization methods have been developed to overcome this issue. A new method combining para-hydrogen enhanced magnetic resonance with the RASER phenomenon can enhance signals significantly.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Biochemical Research Methods
Yutaro Ogaeri, Naoto Suzuki, Toshiro Fukami, Yusuke Nishiyama
Summary: The symmetry-based phase-modulated resonance-echo saturation-pulse double-resonance (PM-S-RESPDOR) method can efficiently and accurately measure the 1H-14N internuclear distances in rigid solids. The fraction curve, represented by (S0 - S')/S0, is derived from the PM-S-RESPDOR signal intensity with and without 14N PM saturation pulse, providing analytical equations for 1H-14N couplings. However, in multi-component systems commonly found in pharmaceutical applications, the limited 1H resolution at fast MAS may lead to the NH proton resonance not being well separated from other proton peaks. To address this issue, T-HMQC filtering is applied to suppress other 1H signals before conducting PM-S-RESPDOR experiments. The method is successfully demonstrated using the acetaminophen-oxalic acid (APAP-OXA) system. The analysis shows that the analytical equation can be safely applied in the analysis of T-HMQC filtered PM-S-RESPDOR experiments.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Review
Biochemistry & Molecular Biology
Philipp Innig Aguion, Alexander Marchanka
Summary: MAS ssNMR is an established tool for studying non-soluble or non-crystalline biomolecules, with significant progress in protein studies but challenges in RNA research. Resonance assignment is a critical step in NMR studies, determining the feasibility of structure determination. Recent research focuses on RNA resonance assignment methods and ssNMR secondary structure determination.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Article
Biochemical Research Methods
Lokeswara Rao Potnuru, Nghia Tuan Duong, Budaraju Sasank, Sreejith Raran-Kurussi, Yusuke Nishiyama, Vipin Agarwal
Summary: Proton-detected solid-state NMR at fast Magic Angle Spinning (MAS) is commonly used for structural characterization of molecules using dipolar couplings. Selective proton recoupling techniques have emerged for structural characterization through estimation of qualitative and quantitative distances. The study demonstrates that well-characterized CNnv sequences can be tailored for selective recoupling of proton spins. The C6(4)(1) recoupling sequence with a modified POST-element shows selective polarization transfer efficiencies between various proton spin pairs.
JOURNAL OF MAGNETIC RESONANCE
(2021)
Article
Chemistry, Multidisciplinary
Wanli Zhang, Alia Hassan, Jochem Struppe, Martine Monette, Ivan Hung, Zhehong Gan, Vinicius Martins, Victor Terskikh, Yining Huang
Summary: By combining new cryogenic MAS probe technology and conducting NMR experiments at a high magnetic field, the challenges of low sensitivity in Zn-67 solid-state NMR have been overcome, leading to remarkable signal enhancement and providing enhanced information for MOF characterization.
CHEMICAL COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
W. Trent Franks, Ben P. Tatman, Jonah Trenouth, Jozef R. Lewandowski
Summary: The paper demonstrates the measurement of dipolar order parameters through recoupling of heteronuclear dipole-dipole couplings, confirming the effectiveness of the method under sample spinning conditions; by measuring the order parameters of the protein in different states, it is found that the results of the order parameters in the complex are consistent with the overall motion of the protein.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Article
Chemistry, Inorganic & Nuclear
Aleksander Jaworski, Jedrzej Piatek, Liuda Mereacre, Cordula Braun, Adam Slabon
Summary: The study presents the first magic-angle spinning (MAS) nuclear magnetic resonance (NMR) investigation on Sn(NCN) compound, revealing the existence of symmetric carbodiimide ions within the (NCN)(2-) groups. The low quadrupolar coupling constant and chemical shifts observed in the NMR results suggest the power of solid-state NMR in providing atomic-level insights into anion species in these compounds, which were further corroborated by high-level calculations using quantum chemistry methods.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
(2021)
Article
Chemistry, Physical
Wenguo Liu, Jiansheng Chen, Zhuogang Pang, Jingsong Wang, Haibin Zuo, Qingguo Xue
Summary: Studying BaO-bearing slag is helpful for understanding its physicochemical variations and guiding ore utilization. The study found that with an increase in BaO content, the slag structure became more complex, the polymerization degree was enhanced, and the viscosity increased.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Maria Concistre, Subhradip Paul, Marina Carravetta, Ilya Kuprov, Philip T. F. Williamson
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Matthew E. Potter, Joshua J. M. Le Brocq, Alice E. Oakley, Evangeline B. McShane, Panashe M. Mhembere, Marina Carravetta, Bart D. Vandegehuchte, Robert Raja
Summary: The diverse applications of metal nanoparticle systems have individual demands on their properties, requiring novel synthetic methods for optimization. Utilizing strong thiol-Pd binding as a precursor for small, uniform Pd nanoparticle formation shows significant improvements in catalytic reactions. The presence of thiol groups offers greater control over nanoparticle formation, potentially allowing more targeted procedures.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Chemistry, Applied
Cristina Pizzolitto, Elena Ghedini, Somayeh Taghavi, Federica Menegazzo, Giuseppe Cruciani, Markus Peurla, Kari Eranen, Ivo Heinmaa, Atte Aho, Narendra Kumar, Dmitry Yu Murzin, Tapio Salmi, Michela Signoretto
Summary: The study focuses on improving the acidity of silica alumina composite using SBA-15, with modifications to enhance Lewis and Bronsted acidities, and introduction of alumina as a co-catalyst. The balanced acidities and proper porosity of the modified SBA-15 led to efficient performance in converting glucose to levulinic acid.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Zhong Wang, Hannah R. Felstead, Robert I. Troup, Bruno Linclau, Philip T. F. Williamson
Summary: Bioactive compounds require crossing membranes to reach their site of action. The octanol-water partition coefficient (logP(OW)) serves as a reliable proxy for membrane permeability. In drug discovery, both logP(OW) and bioactivity are optimized together, and fluorination is one of the relevant strategies. This study examined the correlation between logP(OW) values and membrane molar partitioning coefficients (logK(p)) using lipid vesicles and found that factors affecting logP modifications also affect membrane permeability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Eddy Dib, Svetlana Mintova, Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Marina Carravetta
Summary: By using a combination of symmetry-based recoupling in 29Si NMR, spin dynamics-based simulations, and DFT-based theoretical calculations, we demonstrate how to characterize the 29Si NMR peaks of (Si-O-Si), Bronsted acid sites (Si-OH-Al), and silanols (Si-OH) in nanosized ZSM-5 zeolites. Theoretical calculations and experimental observations reveal significant differences in the chemical shift anisotropy for silicon nuclei close to aluminum (Q(4)(1Al)) compared to those which are not, allowing for clear assignment of Si-29 NMR peaks. The isotropic chemical shift alone cannot differentiate these differences.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Matthew E. Potter, Jonas Amsler, Lucas Spiske, Philipp N. Plessow, Theresah Asare, Marina Carravetta, Robert Raja, Paul A. Cox, Felix Studt, Lindsay-Marie Armstrong
Summary: Catalytic transformations are crucial for chemical technologies as we shift towards renewable bio-based systems. The dehydration of short-chain alcohols using solid acid catalysts is of interest to multiple industries. Microporous aluminophosphates, such as SAPO-34 and SAPO-5, show promising potential due to their size matching with alcohols and various framework topologies.
Article
Biochemistry & Molecular Biology
Danh H. Vu, Amir Mahboubi, Andrew Root, Ivo Heinmaa, Mohammad J. Taherzadeh, Dan akesson
Summary: Retaining high cell density using an immersed membrane bioreactor (iMBR) in a (semi-) continuous process can enhance the production of polyhydroxyalkanoates (PHAs) using volatile fatty acids (VFAs) as a carbon source.
Article
Biochemical Research Methods
Uluk Rasulov, Anupama Acharya, Marina Carravetta, Guinevere Mathies, Ilya Kuprov
Summary: Response functions of resonant circuits create ringing artefacts if their input changes rapidly. This paper introduces the implementation and benchmarks of recent Lie-group methods that can efficiently simulate and optimize smooth control sequences.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Health Care Sciences & Services
Gerson Aparecido Foratori-Junior, Adrien Le Guennec, Tatiana Kelly da Silva Fidalgo, James Jarvis, Victor Mosquim, Marilia Afonso Rabelo Buzalaf, Guy Howard Carpenter, Silvia Helena de Carvalho Sales-Peres
Summary: This study aimed to compare the metabolic profile of unstimulated and stimulated saliva samples from pregnant women with/without obesity and periodontitis. Analysis of the samples showed similar metabolic pathways between stimulated and unstimulated saliva samples.
JOURNAL OF PERSONALIZED MEDICINE
(2023)
Meeting Abstract
Biophysics
Callum P. M. Waller, Peter J. Bond, Syma Khalid, Philip T. F. Williamson, Eilish W. McBurnie, Jan K. Marzinek
BIOPHYSICAL JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Apostolos Kordatos, Khaled Mohammed, Reza Vakili, Alexandre Goguet, Haresh Manyar, Emma Gibson, Marina Carravetta, Peter Wells, Chris-Kriton Skylaris
Summary: The formation of interstitial PdCx nanoparticles is studied through DFT calculations. Migration and diffusion mechanisms of C atoms in Pd NPs are investigated, revealing the preference for interstitial sites and limited mobility towards the NP core. The reaction energies of carbidisation vary with C-concentration, with exothermic reactions observed at low concentrations and endothermic reactions at higher concentrations, indicating the preference for surface residence of C atoms.
Article
Materials Science, Multidisciplinary
Ivo Heinmaa, Riho Rasta, Harlyn J. Silverstein, Christopher R. Wiebe, Raivo Stern
Summary: NaTiSi2O6 is an exemplary compound that undergoes an orbital assisted spin-Peierls phase transition at its critical temperature. Si-29 and Na-23 nuclear magnetic resonance measurements provide valuable insights into the compound's behavior at different temperatures. These findings are significant for understanding the properties of NaTiSi2O6.
Article
Multidisciplinary Sciences
Kairit Eha, Tonis Pehk, Ivo Heinmaa, Aleksei Kaleda, Katrin Laos
Summary: In this study, short-term heat treatment was found to have a significant impact on the structure, molecular weight, and gel rheology of commercial carrageenans. Heat caused desulphation and degradation of furcellaran galactans, leading to a decrease in viscosity and gel hardness. Storage modulus values of carrageenan gels decreased with increasing treatment temperature, with the greatest decrease seen in kappa/lambda-carrageenan gels.
Article
Physics, Multidisciplinary
Stephan Allenspach, Pascal Puphal, Joosep Link, Ivo Heinmaa, Ekaterina Pomjakushina, Cornelius Krellner, Jakob Lass, Gregory S. Tucker, Christof Niedermayer, Shusaku Imajo, Yoshimitsu Kohama, Koichi Kindo, Steffen Kramer, Mladen Horvatic, Marcelo Jaime, Alexander Madsen, Antonietta Mira, Nicolas Laflorencie, Frederic Mila, Bruce Normand, Christian Ruegg, Raivo Stern, Franziska Weickert
Summary: Classical and quantum phase transitions are studied, demonstrating that observable 3D quantum critical scaling is restored by the structural simplification arising from light Sr substitution in Han purple through experiments and simulations.
PHYSICAL REVIEW RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Riho Rasta, Ivo Heinmaa, Kenta Kimura, Tsuyoshi Kimura, Raivo Stern
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)