Article
Engineering, Chemical
Kun Jiang, Guohui Zhou, Timing Fang, Xiaomin Liu
Summary: The self-assembly behavior of ionic liquids in aqueous solution was studied through molecular dynamics simulations, revealing the dominant role of interactions between tail groups in stabilizing vesicles and the influence of membrane thickness and alkyl chain arrangement on vesicle permeability. The interdigitated structure of tail groups reduced water exchange rate, while the orientation of the imidazolium ring promoted water molecules approaching hydrophobic regions. These findings suggest the potential for obtaining vesicles with excellent permeability properties by screening the hydrophilic and hydrophobic properties of ILs for applications in separation and drug delivery processes.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Polymer Science
David Domingo Huguet, Aitor Gual, Ricard Garcia-Valls, Adrianna Nogalska
Summary: This study demonstrates the potential of improving CO2 capture capabilities by supporting ionic liquids (ILs) on a polymeric matrix. The internal morphology and surface characteristics of the membrane were found to influence the ILs sorption capacity and CO2 solubility.
Article
Chemistry, Physical
Pratik Dhakal, Wyatt Gassaway, Jindal K. K. Shah
Summary: Knowledge of frontier orbital energies, such as HOMO and LUMO, is crucial for studying stability, corrosion inhibition potential, and reactivity of compounds. Density functional theory (DFT) calculations provide an approach to estimate these energies, but it becomes computationally intensive for large-scale screening. In this article, a machine learning model based on extreme gradient boosting is developed to predict HOMO and LUMO energies, resulting in significantly reduced computational time.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Yuval Simha, Gil Daniels, Amalya Goldman, Elihay Kuniavsky, Dmitry Tsvelikhovsky
Summary: A new strategy for direct access to fully substituted polycyclic imidazolium salts using alpha-enaminones and proline as the reagents is reported. This open-flask operation is a catalyst-, metal-, and Lewis acid-free green process, which does not require an ion-exchange step. It can produce good yields with minimal formation of side products, and is not limited to aryl substituents.
Article
Chemistry, Physical
Salhah H. Alrefaee
Summary: Through DFT computational study, it was found that imidazolium and pyridinium based ionic liquids exhibit good anticorrosive potential, with corrosion inhibition performance depending on the nature of alkyl groups and halide ions. Among the studied ionic liquids, certain compounds were found to show the best corrosion inhibition performance in both imidazolium and pyridinium based categories.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Applied
Cristina Megias-Sayago, Jose Maria Martinez Blanes, Bartlomiej M. Szyja, Jose Antonio Odriozola, Svetlana Ivanova
Summary: This study demonstrates the important role of imidazolium-based ionic liquids as structure directing agents in zeolite synthesis. By manipulating the structure and interactions with the zeolite framework, different zeolite families can be obtained. Experimental observations are supported by molecular modeling, showing how the specific orientation of ionic liquids with the Si33 precursor leads to the formation of distinct zeolite families.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Biochemistry & Molecular Biology
Jakub Suchodolski, Joanna Feder-Kubis, Anna Krasowska
Summary: Imidazolium ionic liquids with alkyl or alkyloxymethyl chains and a natural menthol substituent showed high antifungal and antiadhesive properties against various Candida species. They disrupted fungal plasma membranes without significant hemolytic properties, inhibiting biofilm formation on different denture materials. The compounds could potentially be used as anti-fungal denture cleaners or fixatives, with low toxicity towards mammalian erythrocytes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Energy & Fuels
Tiantian Jiao, Shaojie Lin, Guangming Bai, Chuhan Ren, Yaqing Zhang, Xiangping Li, Huawei Zhang, Peng Liang
Summary: In this study, the extract-pyrolysis cascading utilization technology was applied to two typical biomasses (chlorella and pine sawdust) using four imidazolium-based ionic liquids as extractants. BmimCl showed the highest extraction yield for both biomasses. Compared to direct pyrolysis, the extract-pyrolysis method can decrease gas and char yields and increase liquid yields.
Article
Chemistry, Physical
Shailesh Padsala, Vijay Patel, Debes Ray, Vinod K. Aswal, Pratap Bahadur
Summary: The micellization and microstructure of mixed micelles from mixtures of anionic and cationic surfactants were extensively studied, showing low CMC and large negative interaction parameter values due to synergism in the mixed systems. The thermodynamic parameters for mixed monolayers and micelles were evaluated. The influence of the ILs on micellar growth, shape changes, and transitions to vesicles was dependent on the surface activity of ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Ismaila Olalekan Saheed, Faiz Bukhari Mohd Suah
Summary: The aggressive search for unique materials has identified chitosan and modified-chitosan as materials with unique characteristics for important applications. The modification of chitosan into imidazolium-based ionic liquids (ILs) for various applications is commonly applied, but the preparation of nano-sized imidazolium ILs modified-chitosan beads has been difficult. This study proposes breakthrough directions based on synthesis routes and physical and mechanical transformation processes to develop nano-micro size chitosan beads using imidazolium-based ILs.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Biochemistry & Molecular Biology
Yingjie Luo, Yiwei Zhang, Cimin Tao, Hongfei Ni, Xuesong Liu, Yong Chen, Yongjiang Wu, Hang Song, Tengfei Xu
Summary: In this study, a polymeric ionic liquid with excellent adsorption capacity for tea polyphenol epigallocatechin gallate (EGCG) was synthesized and optimized using L-proline as the anion. The adsorption process was characterized using dynamics and isothermal research, revealing a quasi-second-order kinetic equation and monolayer adsorption mechanism. Thermodynamic parameter analysis indicated that the adsorption process is endothermic and spontaneous. The results of molecular docking demonstrated the interaction mechanisms between EGCG and the ionic liquid. This study provides guidance for the synthesis of polymeric ionic liquids and optimization of adsorption conditions, with potential applications in component adsorption and purification.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Spectroscopy
Md. Abrar Siddiquee, Juhi Saraswat, Mehraj ud din Parray, Prashant Singh, Savita Bargujar, Rajan Patel
Summary: In this study, the interaction between levofloxacin (LVF) and two imidazolium-based ionic liquids (ILs), 1-butly-3-methylimidazolium chloride ([Bmim][Cl]) and 1-decyl-3-methylimidazolium chloride ([Dmim][Cl]), was investigated using spectroscopic techniques and computational methods. The results showed the formation of fluorescent complexes between LVF and ILs. UV-Vis spectroscopy confirmed the complex formation, and cyclic voltammetry results indicated a strong interaction between LVF and ILs. Density functional theory (DFT) calculations were performed to study the structure and molecular orbitals of the ILs, LVF, and their complexes.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Agricultural Engineering
Hailian Gao, Jiebin Wang, Meixuan Liu, Shunxin Wang, Wenbo Li, Qingda An, Kunlan Li, Ligang Wei, Chi Han, Shangru Zhai
Summary: The aerobic oxidation of lignin model 2-phenoxyacetophenone (2-PAP) in cooperative ionic liquid mixtures (CoILs) with [C(2)C(1)im]OAc and [B(Z)C(1)im]NTf2 was investigated. The CoILs showed higher conversion and product yields compared to pure ILs, indicating the cooperative effects of the two ILs. [C(2)C(1)im]OAc promoted the catalytic cleavage of aryl-ether bonds and solvation, while [B(Z)C(1)im]NTf2 induced the formation of alkyl radicals and enhanced the product selectivity.
BIORESOURCE TECHNOLOGY
(2022)
Article
Energy & Fuels
Di Zhao, Yao Xiong, Yonggang Wang, Beibei Lu, Haiyong Zhang
Summary: In this study, the effective separation of anthracene and carbazole was achieved by synthesizing imidazolium-based ILs. The purity of refining anthracene reached 94.89% and that of crude carbazole reached 81.60%. Additionally, the process allowed for the recovery and recycling of ILs.
Article
Polymer Science
Thashree Marimuthu, Zainul Sidat, Pradeep Kumar, Yahya E. Choonara
Summary: This study compares the effectiveness of an ionic liquid (IL) agent, [HMIM]Cl, as a plasticizer in comparison to current industry standards. The results show that [HMIM]Cl is a more effective plasticizer than the tested standards, even at concentrations as low as 20-30% w/w. Additionally, the combination of [HMIM]Cl with a standard plasticizer demonstrates remarkable plasticizing capability and long-term stability.
Editorial Material
Chemistry, Multidisciplinary
Lingen Zhang, Thalappil Pradeep, Peter Licence, Bala Subramaniam, David T. Allen
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Editorial Material
Chemistry, Multidisciplinary
Bala Subramaniam, Peter Licence, Audrey Moores, David T. Allen
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Editorial Material
Chemistry, Multidisciplinary
Liane M. Rossi, Jean Marcel R. Gallo, Luiz H. C. Mattoso, Marcos S. Buckeridge, Peter Licence, David T. Allen
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Coby J. Clarke, Patrick J. Morgan, Jason P. Hallett, Peter Licence
Summary: The study demonstrates that dicationic pyridine salts offer thermal stability and tunability, making them suitable for high-temperature applications. Small structural changes significantly impact phase transitions and thermal stabilities of the salts, while the electron donating ability of the pyridine functional group can be controlled by structural variation of cations and anions.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Multidisciplinary Sciences
Israel Cano, Andreas Weilhard, Carmen Martin, Jose Pinto, Rhys W. Lodge, Ana R. Santos, Graham A. Rance, Elina Harriet Ahlgren, Erlendur Jonsson, Jun Yuan, Ziyou Y. Li, Peter Licence, Andrei N. Khlobystov, Jesum Alves Fernandes
Summary: The study presents palladium nanoclusters prepared using magnetron sputtering approach, showcasing their atomic structures and electronic environments in ionic liquids. The nanoclusters exhibit a core of around 2 nm surrounded by a dynamic shell of Pd atoms, combining features of both heterogeneous and homogeneous catalysts. This unique combination results in increased catalytic activity, demonstrating the importance of the atomically dynamic surface.
NATURE COMMUNICATIONS
(2021)
Article
Instruments & Instrumentation
Akiharu Kitagawa, Calum Welsh, Harry Mackilligin, Peter Licence
Summary: Temperature measurement is crucial for the life and efficiency of internal components in a jet engine. Rolls-Royce developed irreversible thermochromic paints to evaluate the surface temperature of engine components that cannot be directly measured. This study explored the use of diffuse reflection Fourier transform infrared spectroscopy and partial least squares regression analysis to improve the reliability of temperature measurement by thermochromic paints. The results showed an improved reliability of the prediction model after the combined pre-process treatments.
APPLIED SPECTROSCOPY
(2022)
Editorial Material
Chemistry, Multidisciplinary
David T. Allen, Peter Licence, Bala Subramaniam, Paul T. Anastas, D. Julie Carrier, Jingwen Chen, Nicholas Gathergood, Jeannette M. Garcia, Jinlong Gong, Hongxian Han, King Kuok (Mimi) Hii, Bing-Joe Hwang, Andrew Marr, Michael Meier, Audrey Moores, Ryuhei Nakamura, Thalappil Pradeep, Liane Rossi, Bert Sels, Michael K. C. Tam, Lin Zhuang, Julio F. Serrano
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Applied
Marcos Veguillas Hernando, Jonathan C. Moore, Rowena A. Howie, Richard A. Castledine, Samuel L. Bourne, Gareth N. Jenkins, Peter Licence, Martyn Poliakoff, Michael W. George
Summary: A new continuous-flow process is introduced for synthesizing the pharmaceutical intermediate norketamine (5). By converting the well-established batch synthetic route to a continuous-flow platform, our approach achieves high yields and offers several processing advantages, eliminating many of the challenges associated with handling hazardous substances such as liquid bromine, hydrogen bromide gas, and liquid ammonia at scale.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Article
Chemistry, Inorganic & Nuclear
Patrick J. Morgan, Graham C. Saunders, Stuart A. Macgregor, Andrew C. Marr, Peter Licence
Summary: A cyclometallated rhodium complex was used as a catalyst for the quantitative nucleophilic fluorination of a range of acyl chlorides to acyl fluorides. The catalyst showed high yields and could be separated, regenerated, and reused. The reaction mechanism was proposed to involve a nucleophilic Rh-F bond based on graphical kinetic analysis and DFT calculations.
Article
Chemistry, Physical
Emily Smith, Neal Fairley, Peter Licence, Robert Jones, Jonas Baltrusaitis
Summary: X-ray photoelectron spectroscopy (XPS) is commonly used for surface characterization. This study presents a refined fitting procedure for XPS spectra, which can account for the asymmetric features observed in experimental spectral envelopes.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Organic
Nicolas S. Anjos, Agata I. Chapina, Ana R. Santos, Peter Licence, Luiz S. Longo
Summary: In this study, the use of Brønsted acidic ionic liquids (BAIL) as catalysts in Groebke-Blackburn-Bienayme (GBB) multicomponent reactions was systematically investigated. A series of 1-(butyl-4-sulfonic)-3-methylimidazolium salts with different anions were synthesized and screened as acidic catalysts. The best reaction conditions were determined, resulting in the synthesis of imidazo-fused heterocycles in moderate to excellent yields.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Applied
Jessica Streets, Nicolas Proust, Dixit Parmar, Gary Walker, Peter Licence, Simon Woodward
Summary: The Alder-ene reaction between neat polyisobutylene and maleic anhydride to produce polyisobutylene succinic anhydride, an important lubricant additive precursor, was studied. The reaction follows second-order near-equal rate laws, with different reaction pathways and conversion rates for different components.
ORGANIC PROCESS RESEARCH & DEVELOPMENT
(2022)
Editorial Material
Chemistry, Multidisciplinary
David T. Allen, Paul T. Anastas, Peter Licence, Bala Subramaniam, Julio Serrano
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Physical
Shuang Men, Yusheng Sun, Peter Licence, Jun Qu
Summary: This study used X-ray photoelectron spectroscopy to analyze nine morpholinium ionic liquids and investigate the effects of alkyl chain length and anion basicity on binding energies. The results showed that changing the anion's basicity had a significant impact on the electronic environment of the oxygen center. The study also discussed the influence of long alkyl side chains on cation-anion interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Coby J. Clarke, Husain Baaqel, Richard P. Matthews, Yiyan Chen, Kevin R. J. Lovelock, Jason P. Hallett, Peter Licence
Summary: Halometallate ionic liquids have unique properties that make them promising for industrial catalytic processes. This study provides a comprehensive list of thermal parameters to define temperature limits and prevent catalyst poisoning. Adjusting the structure of the ionic liquids can optimize catalysis, but it also affects their physical properties.
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)