Article
Chemistry, Physical
Mi Wu, Hanpei Yang, Qiangshun Wu, Yuankun Yang, Zuming He
Summary: Based on batch adsorption equilibrium experiments, the adsorption properties and mechanisms of two antibiotics, Tetracycline (TC) and erythromycin (ERY), on clay montmorillonite (Mt) were investigated. Competitive adsorption between TC and ERY on the active sites of Mt was observed, with TC showing stronger competitiveness. The adsorption process was simulated using FT-IR, XRD, and molecular simulation, providing insights into the conformational behavior of antibiotics in the confined space of Mt.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Construction & Building Technology
Yihan Ma, Shengnan Sha, Beibei Zhou, Fengzhen Lei, Yi Liu, Yuchong Xiao, Caijun Shi
Summary: This study investigated the adsorption isotherms and kinetics of polycarboxylate ether (PCE) superplasticizer on montmorillonite (MMT). It was found that PCE mainly adsorbs on the surface of MMT and can intercalate completely at a certain concentration. The adsorption of PCE on MMT follows the Freundlich isotherm equation and the pseudo-second-order adsorption equation. The temperature does not affect the surface adsorption of PCE, but it results in a lower adsorption saturation at higher temperatures.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Environmental Sciences
Facundo Barraque, Maria L. Montes, Mariela A. Fernandez, Roberto Candal, Rosa M. Torres Sanchez, Jose L. Marco-Brown
Summary: Magnetic-clay and magnetic-organoclay nanocomposites were synthesized and evaluated for arsenic adsorption, showing highest removal efficiency under acidic conditions. The materials exhibited two adsorption processes and could be separated and recovered using external magnetic fields.
ENVIRONMENTAL RESEARCH
(2021)
Article
Engineering, Chemical
Hongling Zhang, Haihua Xu, Mingzhu Xia, Fengyun Wang, Xia Wan
Summary: The novel ampholytic surfactant modified montmorillonite showed better adsorption performance for BTH and 2-OH-BTH compared to acidified Na-Mt, mainly through electrostatic interaction and hydrophobic partitioning.
ADVANCED POWDER TECHNOLOGY
(2021)
Article
Chemistry, Physical
Qiming She, Minyang Qiu, Kejin Li, Jiahui Liu, Chunhui Zhou
Summary: This study modulated the surface and structure of Na-Mt by thermal treatment, providing both acidic and basic sites for the transesterification reaction. The results showed that thermally activated Na-Mt exhibited bifunctional catalytic properties, with a basic site density of 1.38 mmol/g at 400°C calcination resulting in a glycerol conversion of 96.8% and a glycerol carbonate yield of 94.5%.
APPLIED CLAY SCIENCE
(2023)
Article
Construction & Building Technology
Yihan Ma, Dengwu Jiao, Shengnan Sha, Beibei Zhou, Yi Liu, Caijun Shi
Summary: Four types of PCE superplasticizers were synthesized and their performance was evaluated, with S-PCE demonstrating the best dispersion and retention capability, while H-PCE performed the worst.
CEMENT & CONCRETE COMPOSITES
(2022)
Article
Chemistry, Applied
Jarinya Sittiwong, Keeradara Hiruntrakool, Athittaya Rasrichai, Ornanong Opasmongkolchai, Pemika Srifa, Krongkwan Nilwanna, Thana Maihom, Michael Probst, Jumras Limtrakul
Summary: The adsorption process is an important route for removing glyphosate, and this study investigated the adsorption of glyphosate on Lewis acidic zeolites through density functional theory calculations. It was found that Hf-BEA zeolite had the highest adsorption energy and ordered Lewis acidity, and there was a linear scaling relationship between glyphosate and ammonia adsorption energies. The zeolite pore structures also affected the adsorption activity, and water and hydrolysis of metal-substituted active sites played a significant role in glyphosate adsorption.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Chemistry, Physical
Soufiane El Mahmoudi, Abdellah Elmchaouri, Assya El Kaimech, Antonio Gil
Summary: This study aimed to optimize the adsorption of pentachlorophenol using an organo-clay under the response surface methodology. The results showed that the modified organo-montmorillonite had increased basal space and pore diameter, with a decrease in specific surface and pore volume. By using the response surface methodology, the optimal conditions for PCP removal were determined.
Article
Environmental Sciences
Sara E. Hearon, Asuka A. Orr, Haley Moyer, Meichen Wang, Phanourios Tamamis, Timothy D. Phillips
Summary: The study found that nutrient-amended clays can effectively reduce the bioavailability of PFAS in soil and decrease the risk of PFAS translocation to plants.
ENVIRONMENTAL RESEARCH
(2022)
Article
Construction & Building Technology
Ning Tang, Jun-jie Yang, Wen-fei Cen, Wen-hao Pan, Li-mei Wu, Chang-wei Xu
Summary: The study focuses on using organic montmorillonite to enhance the adhesion between bitumen and acidic aggregate in asphalt pavement. Results show that using 5.0% OMT can significantly improve the fracture energy and peak load of bitumen, as well as enhance the coating degree of acid aggregate after boiling water test.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Chemistry, Physical
Fuping Zeng, Xinnuo Guo, Xiaoxuan Feng, Rijian Cai, Qiang Yao, Shiling Zhang, Ju Tang
Summary: This paper investigates the potential active sites of MXene material Ti3C2Tx (T = OH, F, O) for the degradation of sulfur hexafluoride (SF6) using density functional theory (DFT). The results show that Ti3C2(OH)2 exhibits the strongest adsorption capacity for SF6 and has better catalytic activity compared to other common catalysts. This study provides theoretical support for the efficient degradation of SF6 using MXene as a catalyst.
APPLIED SURFACE SCIENCE
(2022)
Article
Environmental Sciences
Hongling Zhang, Mingxing Shi, Mingzhu Xia, Fengyun Wang, Feng Zhao
Summary: This study investigated the adsorption mechanisms of clay minerals on antibiotic PPCPs with different ionization states under varying pH conditions. Various analytical tools were used to quantitatively analyze the electrostatic interactions between MMT and different TC species, providing insights into the microscopic interactions at the atomic level.
WATER AIR AND SOIL POLLUTION
(2021)
Article
Chemistry, Physical
Menglu Cui, Yu Zhao, Wen Gao, Xixi Cui, Chenyang Zhang, Changzhe Zhang, Qingtian Meng
Summary: In this study, a series of diradical molecules with noticeable magnetic coupling properties were computationally designed based on newly synthesized artificial bases. Two methods (base pairing and nitro group rotation) for regulating the magnetic magnitude were discovered, making these molecules potential magnetic switches.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Zijun Zhang, Hongjie Wang, Min Niu, Kang Peng, Pengfei Guo
Summary: In this study, MPS were prepared for the removal of Congo red, achieving a maximum adsorption capacity of 598.31 mg.g(-1). The adsorption behavior followed the pseudo-second-order kinetic model and the Freundlich isotherm model, demonstrating promising potential for a wide range of wastewater treatment in industrial applications.
APPLIED CLAY SCIENCE
(2022)
Article
Materials Science, Ceramics
Miguel Angel Lopez Zavala, Bernardo Frias Bouchez
Summary: Ceramic membranes made of montmorillonite, perlite and iron were used to remove As(III) from water. The addition of iron enhanced the adsorption/removal capacity of the membranes for As(III) as well as the removal of other ions, turbidity, and electrical conductivity.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Marta Diaz-Caballero, Susanna Navarro, Miquel Nuez-Martinez, Francesca Peccati, Luis Rodriguez-Santiago, Mariona Sodupe, Francesc Teixidor, Salvador Ventura
Summary: Researchers have designed a new type of peptide nanomaterial consisting solely of histidine and tyrosine residues, which exhibit biocompatible amyloid-like fibrils and hydrogels with hydrolytic and electrocatalytic activities. These nanofibers show controllable mesoscopic properties at different pH levels, transitioning between active beta-sheet fibrils and inactive random coil species. The structural insights derived from molecular dynamic simulations offer understanding on how these amyloid-like fibrils achieve a combination of structural and catalytic properties.
Article
Geochemistry & Geophysics
Gwenaelle Corbin, Emmanuelle Vulliet, Bruno Lanson, Albert Rimola, Pierre Mignon
Summary: The study found that the adsorption of carbamazepine and paracetamol onto expandable clay minerals is low, with neither compound entering the interlayer space of the clay. The adsorption mainly occurs through van der Waals interactions on the clay surface.
Article
Chemistry, Physical
Danilo Gonzalez, Javier Heras-Domingo, Mariona Sodupe, Luis Rodriguez-Santiago, Xavier Solans-Monfort
Summary: The optimization of oxygen evolution reaction catalysts is hindered by the limited active catalysts under acidic conditions, with RuO2 and IrO2 being the primary choices. DFT calculations were used to analyze the catalytic activities of IrO2 surfaces, revealing that the reactivity depends on the presence of Ir=O species with oxyl character. Water nucleophilic attack is the preferred pathway on certain surfaces, while oxo-coupling is favored on others. The coordination of unsaturated iridium sites plays a key role in determining the activity of the different surfaces.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Multidisciplinary
Anna Levy, Manuel De Anda Villa, Gaetan Laurens, Valerie Blanchet, John Bozek, Jerome Gaudin, Emily Lamour, Stephane Mace, Pierre Mignon, Aleksandar R. Milosavljevic, Christophe Nicolas, Minna Patanen, Christophe Prigent, Emmanuel Robert, Sebastien Steydli, Martino Trassinelli, Dominique Vernhet, Onni Vetelainen, David Amans
Summary: Pulsed laser ablation in liquid (PLAL) is a powerful method for producing nanoparticle colloids with long-term stability, and the stability is influenced by the reactivities and chemical equilibria at the nanoparticle/solvent interface. X-ray photoelectron spectroscopy can be used to evaluate the degree of nanoparticle surface oxidation and composition.
Article
Chemistry, Physical
Francesca Peccati, Mariona Sodupe
Summary: This study analyzes the preferred atomistic fibrillar structures formed from short peptides self-assembled into artificial amyloid-like nanofibers. It identifies parallel beta-sheet organizations with polar residues as the preferred assembly due to the formation of strong hydrogen bond networks. The research provides a basis for the rational design of new improved artificial prion-inspired materials.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Medicinal
Stefano Pantaleone, Albert Rimola, Piero Ugliengo, Mariona Sodupe
Summary: The research proposes a cost-effective strategy for modeling peptide/surface interactions, and through calculations and simulations, investigates the adsorption and relative stability of different polyglycine structures on the TiO2 surface, revealing the molecular changes in secondary structures upon adsorption.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Physical
Danilo Gonzalez, Mariona Sodupe, Luis Rodriguez-Santiago, Xavier Solans-Monfort
Summary: H-2 production through water electrolysis is a promising strategy for storing sunlight energy. Iridium oxide containing materials are the state-of-the-art for the oxygen evolution reaction, with small nanoparticles showing high catalytic activities. This study performed DFT calculations to determine the factors controlling the catalytic activity of IrO2 nanoparticles.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Stefano Pantaleone, Mariona Sodupe, Piero Ugliengo, Albert Rimola
Summary: This study investigates the adsorption and stability of polypeptide secondary structures (alpha-helix and beta-sheet) on the TiO2 (101) anatase surface using periodic quantum mechanical simulations. The results show that the preferred conformation upon adsorption is the alpha-helix over the beta-sheet, and the affinity trend of the polypeptides with the surface is similar to the trend for the single amino acids.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Sofia Martins, Zheng Ma, Xavier Solans-Monfort, Mariona Sodupe, Luis Rodriguez-Santiago, Enric Menendez, Eva Pellicer, Jordi Sort
Summary: This study improves the magneto-ionic performance of electrolyte-gated cobalt oxide thin films by adding inorganic salts. The simulations show that potassium iodide favors the accumulation of positive charge on the cobalt oxide surface. The experiments demonstrate a significant enhancement of room temperature magneto-ionics in cobalt oxide films with the presence of potassium iodide in the electrolyte.
NANOSCALE HORIZONS
(2022)
Article
Astronomy & Astrophysics
Stefano Ferrero, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola
Summary: In the coldest regions of the interstellar medium, the icy surfaces of interstellar grains play a crucial role in chemical reactions. The energy dissipation process during these reactions is poorly understood but has significant implications in astrochemistry. Quantum mechanical simulations were conducted to investigate the formation of NH3 on water ice surfaces, particularly focusing on the third-body role.
ASTROPHYSICAL JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Didac A. Fenoll, Mariona Sodupe, Xavier Solans-Monfort
Summary: Cadmium selenide nanomaterials are important in photonics, catalysis, and biomedical applications due to their tunable optical properties. The effect of ligand adsorption on the electronic properties of CdSe nanoparticles is characterized using DFT simulations. Ligand-surface interactions and ligand-ligand dispersive interactions affect the adsorption energies. Ligand passivation does not induce surface reorganization on zinc blende and wurtzite surfaces, while structural reconstruction occurs on the nanoparticle.
Article
Chemistry, Multidisciplinary
Susanna Navarro, Marta Diaz-Caballero, Francesca Peccati, Lorena Roldan-Martin, Mariona Sodupe, Salvador Ventura
Summary: Enzymes fold into specific 3D protein structures and exhibit high catalytic efficiency and selectivity. Artificial amyloids have been shown to have catalytic activity and advantages over natural enzymes. A recent study found that short peptides can self-assemble into amyloid fibrils with catalytic activity by coordinating and retaining different divalent metal cations. These findings provide new insights into the design of artificial metalloenzymes and support the role of amyloid-like structures in the origin of life.
Article
Astronomy & Astrophysics
Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola
Summary: The carbon atom can condensate with interstellar ice components, which is crucial for interstellar medium chemistry. Carbon condensation on CO-rich ices forms ketene, which can be a potential candidate for interstellar complex organic molecules. Quantum chemical calculations show that the addition of H to ketene to form the acetyl radical is the most preferred path, and the reactions with OH and NH2 have high activation energies. Astrophysical implications of these findings are discussed considering the James Webb Space Telescope observations.
ASTROPHYSICAL JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Danilo Gonzalez, Mariona Sodupe, Luis Rodriguez-Santiago, Xavier Solans-Monfort
Summary: The study shows that metal coordination and hydrogen bonding are the key factors determining H2O adsorption energy and preferred adsorption structure, with tip and corner sites of the nanoparticle exhibiting lower adsorption energies and a smaller degree of water dissociation.
Article
Chemistry, Physical
Lorena Roldan-Martin, Francesca Peccati, Giuseppe Sciortino, Mariona Sodupe, Jean-Didier Marechal
Summary: Metal ions are important in the formation of beta-amyloid plaques in Alzheimer's disease, with Cu(ii) increasing alpha-helix content while Al(iii) decreases helical content and favors the appearance of transitory beta-strands in Aβ(42) conformation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
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)
