Article
Biochemical Research Methods
Stephen J. DeVience, Matthew S. Rosen
Summary: In the strong coupling regime, J-coupling spectroscopy can identify molecules spectrally even when conventional NMR fails. Spin-lock induced crossing (SLIC) or spin echo train techniques enable the acquisition of J-coupling spectra in homonuclear systems.
JOURNAL OF MAGNETIC RESONANCE
(2022)
Article
Chemistry, Physical
Vinicius Martins, Bryan E. G. Lucier, Kuizhi Chen, Ivan Hung, Zhehong Gan, Christel Gervais, Christian Bonhomme, Heng-Yong Nie, Wanli Zhang, Yining Huang
Summary: Porous metal-organic frameworks (MOFs) have diverse applications in various fields, and post synthetic modification (PSM) approaches can enhance their properties. In this study, high-field solid-state NMR techniques were used to gain molecular-level insights into a prototypical aluminum MOF and its interactions with metal guests. The results provide detailed information about the oxygen environment, intermolecular interactions, and host-guest connectivity in the MOF.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Nghia Tuan Duong, Daniel Lee, Frederic Mentink-Vigier, Olivier Lafon, Gael De Paepe
Summary: This study evaluates the performance of several homonuclear dipolar recoupling sequences for Al-27 nuclei and finds that BR2(2)(1) outperforms other sequences in terms of double-quantum transfer efficiency and bandwidth. The analytical approximation of BR2(2)(1) clarifies the interplay between radio-frequency offsets and double-quantum efficiency, providing insights for improving recoupling schemes for quadrupolar nuclei.
MAGNETIC RESONANCE IN CHEMISTRY
(2021)
Article
Chemistry, Physical
Ivan Hung, Eric G. Keeler, Wenping Mao, Peter L. Gor'kov, Robert G. Griffin, Zhehong Gan
Summary: This study addresses the challenges of low sensitivity, low resolution, and large quadrupolar couplings in the NMR study of oxygen by employing efficient isotopic labeling, high magnetic fields, fast sample spinning, and H-1 detection. Oxygen sites specific to each amino acid residue are observed through multidimensional experiments. The use of cross-polarization at high sample spinning frequencies enables efficient C-13<->O-17 polarization transfer. Results show that using O-17 for initial polarization provides better sensitivity per unit time compared to H-1.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Ivan Hung, Zhehong Gan, Gang Wu
Summary: This study presents two- and three-dimensional C-13-O-17 heteronuclear correlation solid-state NMR experiments under magic-angle spinning (MAS) conditions. The experiments were performed on different samples using various schemes to achieve coherence transfer between C-13 and O-17 nuclei. This new 3D O-17 NMR experiment aims for site-resolved solid-state O-17 NMR studies, demonstrating successful correlations between O-17, C-13, and C-13 nuclei.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(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
Chemistry, Physical
Millena Logrado, Randall E. Youngman, Bruce G. Aitken, Hellmut Eckert
Summary: The modification of the glass structure in the SiO2-P2O5-Al2O3 system by Na2O was studied using Ramanspectroscopy and multinuclear solid state NMR. The results showed that the structure of these glasses is dominated by bonding between anionic aluminum and cationic phosphate units. The replacement of alumina by sodium oxide leads to structural changes, while the silica component remains unchanged.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Brijith Thomas, Boyce S. Chang, Julia J. Chang, Martin Thuo, Aaron J. Rossini
Summary: This study successfully determined the molecular structures of self-assembled, one-dimensional metal coordination polymers using advanced solid-state NMR spectroscopy, powder X-ray diffraction, and quantum chemical calculations. The research protocol was validated on a known structure and applied to determine the crystal structures of previously unknown coordination polymers. The obtained structures were confirmed by comparing experimental and simulated patterns and were found to be energetically stable according to density functional theory calculations.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Dinu Iuga, Emily K. Corlett, Steven P. Brown
Summary: Heteronuclear multiple-quantum coherence (HMQC) pulse sequences were investigated for establishing correlation between Cl-35 and H-1 nuclei in chloride salts under high-field solid-state nuclear magnetic resonance (NMR). Different recoupling methods and experimental techniques were compared to study the orientation-dependent changes in the second-order quadrupolar-broadened Cl-35 MAS NMR lineshape. Two-dimensional NMR spectra were obtained for various chloride salts, showing some discrepancies between experimental observations and simulated values.
MAGNETIC RESONANCE IN CHEMISTRY
(2021)
Review
Chemistry, Multidisciplinary
Yusuke Nishiyama, Guangjin Hou, Vipin Agarwal, Yongchao Su, Ayyalusamy Ramamoorthy
Summary: Solid-state NMR spectroscopy is a commonly used technique for studying the atomic-resolution structure and dynamics of various systems. However, its spectral resolution and sensitivity have been limited. The development of ultrafast-MAS technology has provided opportunities to improve the resolution and sensitivity of solid samples. Despite the limitations and challenges, ultrafast-MAS NMR techniques have achieved remarkable results in various fields.
Review
Multidisciplinary Sciences
Bernd Reif, Sharon E. Ashbrook, Lyndon Emsley, Mei Hong
Summary: Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to determine the chemical structure, 3D structure, and dynamics of solids and semi-solids, with most high-resolution solid-state NMR spectra measured under magic-angle spinning (MAS). Common experiments and data analysis approaches in solid-state NMR are summarized, highlighting applications in biology, chemistry, and materials sciences.
NATURE REVIEWS METHODS PRIMERS
(2021)
Article
Biochemical Research Methods
Kyle Edward Nixon, Karen L. Sauer
Summary: A model for predicting a locked signal in Nuclear Quadrupole Resonance (NQR) was developed and tested with a powder of KClO3 under a series of refocusing pulses. The detection of the 39K line of potassium chlorate via NQR was achieved for the first time in this work. The study measured time constants and investigated the dependencies of the echo train on refocusing pulse-spacing and strength, as well as the optimal angles for excitation and echo pulses and the resonance-frequency dependence on sample temperature.
JOURNAL OF MAGNETIC RESONANCE
(2022)
Article
Chemistry, Multidisciplinary
Aneesa J. Al-Ani, Patrick M. J. Szell, Zainab Rehman, Helen Blade, Helen P. Wheatcroft, Leslie P. Hughes, Steven P. Brown, Chick C. Wilson
Summary: This study presents the crystal structure of salbutamol oxalate and investigates its crystallographic disorder using X-ray crystallography and solid-state NMR. The study reveals that the chiral center of salbutamol is disordered over two positions and the tert-butyl group is rotating rapidly. The impact of crystallization conditions on the disorder is also explored.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Physical
Patrick M. J. Szell, Zainab Rehman, Ben P. Tatman, Leslie P. Hughes, Helen Blade, Steven P. Brown
Summary: Crystallographic disorder can have negative effects on the stability and manufacturing control of active pharmaceutical ingredients. Solid-state NMR is a useful technique for studying crystallographic disorder. This study used high-field Cl-35 solid-state NMR to characterize the disorder in duloxetine hydrochloride, promethazine hydrochloride, and trifluoperazine dihydrochloride. The results showed that higher magnetic fields were beneficial for resolving the disorder in some compounds.
Article
Biochemistry & Molecular Biology
Awatif Alruwaili, Goran M. M. Rashid, Victoria Sodre, James Mason, Zainab Rehman, Anjali K. Menakath, David Cheung, Steven P. Brown, Timothy D. H. Bugg
Summary: The breakdown pathways of lignin by soil microbes have the potential to be used for developing new routes for the production of renewable chemicals, but remain incompletely understood. By feeding β-C-13-labelled DHP lignin to Rhodococcus jostii RHA1, it was found that C-13 label was incorporated into metabolites such as oxalic acid, 4-hydroxyphenylacetic acid, and 4-hydroxy-3-methoxyphenylacetic acid, confirming their origin from lignin breakdown. The identification of glycolate oxidase enzyme and its role in the production of oxalic acid and 4-hydroxybenzoylformic acid provides insights into the pathways involved in lignin degradation.
RSC CHEMICAL BIOLOGY
(2023)
Article
Chemistry, Physical
Ben P. Tatman, W. Trent Franks, Steven P. Brown, Jozef R. Lewandowski
Summary: Solid-state nuclear spin diffusion is a coherent and reversible process transferring spin order through dipolar couplings. Understanding how increased H-1 resolution affects spin diffusion is crucial for interpreting common experiments in solid-state nuclear magnetic resonance. A low-order correlation in Liouville space model based on Dumez et al.'s work has been developed to investigate the coherent contributions to spin diffusion under fast magic-angle spinning (MAS). The model considers resonance-offset dependence and the inclusion of chemical shifts in spin diffusion modeling.
JOURNAL OF CHEMICAL PHYSICS
(2023)
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
Chemistry, Medicinal
Zainab Rehman, W. Trent Franks, Bao Nguyen, Heather Frericks Schmidt, Garry Scrivens, Steven P. Brown
Summary: Lorlatinib is an active pharmaceutical ingredient used to treat lung cancer. This study presents the NMR crystallography analysis of Lorlatinib, combining single-crystal X-ray diffraction structure determination, solid-state NMR, and NMR chemical shift calculation. The crystal structure of Lorlatinib is described, including the presence of intermolecular hydrogen bonds. The study also demonstrates the resolution enhancement in MAS NMR at a higher Larmor frequency.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2023)
Editorial Material
Chemistry, Physical
Steven P. Brown, Yongchao Su
SOLID STATE NUCLEAR MAGNETIC RESONANCE
(2023)
Article
Chemistry, Multidisciplinary
Daniel J. Davidson, Fei Lu, Laura Faas, Daniel M. Dawson, Geoffrey P. Warren, Isabella Panovic, James R. D. Montgomery, Xiaoyan Ma, Boris G. Bosilkov, Alexandra M. Z. Slawin, Tomas Lebl, Afroditi Chatzifragkou, Steve Robinson, Sharon E. Ashbrook, Liz J. Shaw, Smilja Lambert, Isabella Van Damme, Leonardo D. Gomez, Dimitris Charalampopoulos, Nicholas J. Westwood
Summary: Cocoa pod husks, an underutilized resource in chocolate manufacturing, contain lignin with potential applications. An optimized extraction method led to high-quality lignin, allowing for further investigation of its structure and chemical transformation abilities. Preliminary analysis of other product streams from the husks was also conducted.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Physical
Zachary H. Davis, Russell E. Morris, Sharon E. Ashbrook
Summary: A mixed-metal metal-organic framework, (Al,Ga)-MIL-53, was studied using solid-state nuclear magnetic resonance (NMR) spectroscopy, microscopy and energy dispersive X-ray (EDX) spectroscopy to investigate the ion exchange process. Two ion-exchange processes were explored, revealing the formation of core-shell structure and clustering of like cations. This study provides valuable insights into the metal distribution in (Al,Ga)-MIL-53 materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Alexander J. R. Thom, Gemma F. Turner, Zachary H. Davis, Martin R. Ward, Ignas Pakamore, Claire L. Hobday, David R. Allan, Mark R. Warren, Wai L. W. Leung, Iain D. H. Oswald, Russell E. Morris, Stephen A. Moggach, Sharon E. Ashbrook, Ross S. Forgan
Summary: Postsynthetic modification of metal-organic frameworks (MOFs) has proven to be a powerful tool for tuning physical properties and introducing functionality. In this study, we demonstrated the substitution of labile μ(2)-OH ligands in a specific MOF with μ(2)-OCH3 units through reaction with methanol molecules, induced by pressure. The unexpected reactivity of MOF SBUs has implications for a range of applications, from catalysis to chemical stability.
Article
Chemistry, Physical
Edoardo Fusco, Sharon E. Ashbrook, Michael Buhl
Summary: In this study, DFT predictions were made for the paramagnetic Nuclear Magnetic Resonance (pNMR) spectra of small molecular models based on the Cu(ii)-paddlewheel dimer motif found in metal-organic frameworks (MOFs). Potential point defects with spin-1/2 were explored through electron paramagnetic resonance (EPR) experiments. Defects were considered through substitution of one Cu(ii) center with protons or through one-electron reduction, resulting in a mixed-valence dimer. While most defects had similar pNMR shifts to non-defective MOFs at room temperature, their detection and identification could be achieved based on their distinct temperature dependence.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Zachary H. Davis, Emma A. L. Borthwick, Russell E. Morris, Sharon E. Ashbrook
Summary: This paper presents a study on the mixed-metal MOFs (Al,Sc)-MIL-53 using DFT computational analysis. The results show that NMR parameters can be used to differentiate and characterize the different forms of mixed-metal MOFs with different composition, and these parameters can also be correlated with structural features. This study provides important insights into the nature and origin of the interactions that affect nuclear spins.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Andrea Zachariou, Alexander P. Hawkins, Russell F. Howe, Janet M. S. Skakle, Nathan Barrow, Paul Collier, Daniel W. Nye, Ronald I. Smith, Gavin B. G. Stenning, Stewart F. Parker, David Lennon
Summary: This study investigates the acid sites in a commercial ZSM-5 zeolite catalyst using various analytical methods. The results show that the Bronsted acid sites are associated with the aluminum substituted into the zeolite lattice, and about 50% of the aluminum in the zeolite is extra-framework. The novelty of directly counting protons using inelastic neutron scattering spectroscopy is emphasized.
ACS PHYSICAL CHEMISTRY AU
(2022)
Correction
Chemistry, Physical
Jacqueline Tognetti, W. Trent Franks, Jozef R. Lewandowski, Steven P. Brown
Summary: This study focuses on optimizing H-1 PMLG homonuclear decoupling at 60 kHz MAS to enable N-15-H-1 through-bond heteronuclear correlation solid-state NMR spectroscopy.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Jacqueline Tognetti, W. Trent Franks, Jozef R. Lewandowski, Steven P. Brown
Summary: This study demonstrates enhanced decoupling in H-1 magic-angle spinning solid-state NMR, as well as good performance of windowed decoupling in H-1 spin-echo experiments. The findings have implications for N-15-H-1 cross polarization experiments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(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)
