Article
Chemistry, Physical
M. A. Deyab, M. I. Nessim, Abdelfattah Haikal, Q. Mohsen, N. A. Khalil
Summary: This paper describes the corrosion inhibiting action of four new imidazolium-derived ionic liquids (ILs). Various analytical techniques were used to confirm their molecular formula and characterize their adsorption behavior on a steel substrate. Results showed that these ILs exhibited effective corrosion suppression and adsorbed onto the steel surface through physi-chemisorption. SEM/EDX and FTIR analysis further supported the adsorption process of the ILs.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Irshad Kammakakam, Kathryn E. O'Harra, Enrique M. Jackson, Jason E. Bara
Summary: This study introduces a novel approach to enhance CO2 separation performance by combining the benzoxazole functionality with tailorable cationic groups, resulting in a new type of imidazolium-mediated poly(benzoxazole) ionene polymer. The structural changes from Coulombic interactions between the ionene backbone and free ionic liquid contribute to enhanced gas separation performance, showing increased diffusivities, high selectivities, and significant increases in CO2 permeability. These new high-performance ionenes demonstrate the versatility of ionene design and potential of the ionene + IL material platform for gas separation membranes with sophisticated functional and structural features.
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
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
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
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, Multidisciplinary
Naoya Haraguchi, Naoki Ogiwara, Yoshitaka Kumabe, Soichi Kikkawa, Seiji Yamazoe, Takashi Tachikawa, Sayaka Uchida
Summary: Size-controlled Ag clusters with specific colors were synthesized using porous ionic crystals (PICs) as scaffolds and redox-active polyoxometalates (POMs) as electron sources. The cluster size and color emission were controlled by the reduction time and types of ions or elements in the PICs. This method provides a convenient way to obtain ligand-free Ag clusters with high yields and stability.
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
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, Physical
Alaa Ghanem, Rima D. Alharthy, Saad M. Desouky, Raghda A. El-Nagar
Summary: Ionic liquid compounds are used to inhibit asphaltene precipitation, which is significant in addressing asphaltene-related issues. A series of imidazolium-based ionic liquid compounds were synthesized and their performance as asphaltene dispersants was evaluated through experiments.
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
Chemistry, Physical
Zeqi Wang, Yidan Wu, Zidan Cao, Yu Li, Yinge Bai, Xiangping Zhang, Tao Li, Baozeng Ren
Summary: A series of imidazolium-based ionic liquids were synthesized as absorbents for ethylene dichloride (EDC) absorption. Among them, [Bmim][DCA] showed the best absorption performance with a capacity of 0.3700 g EDC/g IL. The anions of the ionic liquids played a more significant role in EDC absorption compared to the cations.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Sergiy Rogalsky, Oksana Tarasyuk, Alina Vashchuk, Oleg Dzhuzha, Tetiana Cherniavska, Stanislav Makhno
Summary: This research developed low-cost proton-conducting electrolytes for fuel cells operating at high temperatures by preparing two room temperature protic ionic liquids (PILs), IM-DBP and IM-BEHP. The synthesized PILs were optimized using density functional theory and showed hydrogen bonding between the cation and anion. Both PILs exhibited low glass transition temperatures, high thermal degradation points, and viscosity that decreased with increasing temperature. The ionic conductivity of the PILs reached the desired level above 140 degrees C. The obtained results suggest that imidazolium dialkyl phosphates can be used as proton conducting electrolytes for medium temperature fuel cell applications.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
H. M. El-Saeed, A. S. Fouda, M. A. Deyab, K. Shalabi, M. I. Nessim, Emad E. El-Katori
Summary: Three newly synthesized ionic liquids were characterized, and their corrosion inhibition properties on aluminum alloy in acidic solution were evaluated. The results demonstrated that these ionic liquids effectively inhibited aluminum corrosion, with better inhibition efficiency achieved when zinc sulfate was added. The concentration and cation type of the ionic liquids also affected the inhibition performance. The computational calculations matched well with the experimental data.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
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
Environmental Sciences
Chella Santhosh, Ehsan Daneshvar, Kumud Malika Tripathi, Pranas Baltrenas, TaeYoung Kim, Edita Baltrenaite, Amit Bhatnagar
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2020)
Article
Materials Science, Biomaterials
Kumud Malika Tripathi, Hee Tae Ahn, Minsoo Chung, Xuan Ai Le, Deepika Saini, Anshu Bhati, Sumit Kumar Sonkar, Moon Il Kim, TaeYoung Kim
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2020)
Article
Chemistry, Physical
Xuefeng Zhang, Yunsang Kim, Dongsu Kim, Ming Liu, Iris Beatriz Vega Erramuspe, Gulbahar Bahsi Kaya, Xiang Wang, TaeYoung Kim, Brian K. Via, Heejin Cho
Summary: The hybrid composite foam made of polyurethane and lignin, with cell-wall pores, is a promising material for stabilizing phase change materials in buildings, improving energy efficiency.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Tran Thanh Tung, Shengjian Jammy Chen, Christophe Fumeaux, TaeYoung Kim, Dusan Losic
Summary: A flexible and highly efficient wideband slot antenna based on a conductive composite of PEDOT and N-doped rGO was developed for wearable applications. The antenna exhibited close to 80% conduction efficiency over a bandwidth from 3 to 8 GHz and demonstrated improved electrical and mechanical performance compared to graphene and PEDOT alone. The synergistic effects between N-doped rGO and PEDOT in the composite were critical to the material's high performance, opening up possibilities for future non-metallic flexible electronic device developments.
Article
Energy & Fuels
Thi Huong Pham, Jun-Woo Park, TaeYoung Kim
Summary: The cobalt doped GCN photocatalyst significantly enhances the photodegradation of paracetamol in wastewater, showing high removal and decomposition efficiency at both high and low initial concentrations. The Co/GCN also demonstrates a faster degradation rate compared to undoped GCN, with the potential for multiple recycling, highlighting its promising application in pharmaceutical wastewater treatment.
Article
Environmental Sciences
Thi Huong Pham, Sung Hoon Jung, Yoon Jin Kim, TaeYoung Kim
Summary: This study explored the use of carbon-based aerogels derived from waste paper as efficient adsorbents for removing organic pollutants from wastewater, achieving significant removal efficiency with low-concentration pollutants through electrostatic attraction, pore-filling, hydrogen bonding, and pi-pi interactions. This work provides an effective approach to produce adsorbents for the removal and recovery of chemicals from wastewater.
Article
Materials Science, Multidisciplinary
Jun-Woo Park, Seong-Chan Jo, Min-Ju Kim, Ik-Hyeon Choi, Byung Gon Kim, You-Jin Lee, Hae-Young Choi, Sung Kang, TaeYoung Kim, Kang-Jun Baeg
Summary: Flexible high-energy-density lithium-sulfur (Li-S) batteries utilizing all-fibrous sulfur cathodes and separators have been developed, achieving high capacities and excellent cycling stability. The innovative use of single-walled carbon nanotubes (CNTs) impregnated with cellulose nanofibers in the sulfur cathodes helps improve redox kinetics and increase sulfur loading content, resulting in a high gravimetric energy density of 443 Wh kg-1 per cell.
NPG ASIA MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
TaeGyeong Lim, TaeYoung Kim, Ji Won Suk
Summary: In this study, a porous Cu mesh was utilized as a current collector to investigate its morphological effect on supercapacitor performance. The porous surface was achieved through thermal annealing with ammonia gas. Hierarchically porous activated graphene (AG) was deposited on the P-Cu mesh, resulting in high specific capacitance and energy density due to efficient electric double-layer formation and charge transport. This work presents an alternative approach to enhance supercapacitors by combining a porous metallic current collector with porous AG.
Article
Environmental Sciences
Vu Thi Quyen, Thi-Huong Pham, Jitae Kim, Dang My Thanh, Phan Quang Thang, Quyet Van Le, Sung Hoon Jung, TaeYoung Kim
Summary: The study demonstrates that coffee husk can be used as an adsorbent to remove heavy metal ions from wastewater, with the prepared biosorbents showing high sorption capacities. The adsorption process follows the Freundlich isotherm and second-order kinetic model.
Article
Chemistry, Physical
Goutam Nandi, Sabyasachi Sarkar, Bezawada Sridhar Reddy, TaeYoung Kim, Kumud Malika Tripathi
Summary: The text describes the synthesis and transformation process of a molybdenum-sulfur coordination cluster, forming different complexes through substitution of different ligands and reactions with excess triphenyl phosphine and elemental sulfur. The crystal structure and photoluminescent properties of the complexes are analyzed.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Review
Chemistry, Multidisciplinary
Oshnik Maurya, Somnath Khaladkar, Michael R. Horn, Bhavesh Sinha, Rajendra Deshmukh, Hongxia Wang, TaeYoung Kim, Deepak P. Dubal, Archana Kalekar
Summary: Nickel chalcogenide (S and Se) based nanostructures have drawn attention as materials for energy conversion and storage systems due to their good electrochemical stability, eco-friendly nature, and low cost. Improving properties of these materials through strategies like nano-structuring and hybridization is discussed in this review. The interaction of these materials with electrolytes, other electro-active materials, and inactive components are analyzed to understand their effects on the performance of energy conversion and storage devices.
Article
Energy & Fuels
Thi-Huong Pham, Sung Hoon Jung, TaeYoung Kim
Summary: In this study, nickel-doped graphitic carbon nitride (Ni-gC(3)N(4)) was synthesized and found to be an efficient photocatalyst for degrading volatile organic compounds (VOCs) under solar light, with high stability and recyclability. The Ni doping enhanced visible light harvesting and charge separation efficiency, leading to an enhanced reduction capacity for photoexcited electrons.
Article
Electrochemistry
SungHoon Jung, Pham Thi Huong, Shalini Sahani, Kumud Malika Tripathi, Byung Jun Park, Young Hee Han, TaeYoung Kim
Summary: A facile method is reported to produce composites of hierarchically porous graphene-based materials embedded with onion-like carbons (Gr-OLCs) for high power density supercapacitors. The carbon material showed high specific capacitance and power density, making it a promising electrode material for high power energy storage devices.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Shalini Sahani, Seung Jun Park, Yusik Myung, Thi-Huong Pham, Tran Thanh Tung, TaeYoung Kim
Summary: A novel room-temperature gas sensor composed of polymeric graphitic carbon nitride composite was developed and used for the detection of ethanol vapor under ambient conditions. The sensor exhibited excellent sensing efficiency, high selectivity, and stability, with a swift response time provided under ambient conditions.
Review
Nanoscience & Nanotechnology
Bhaskar Bhaduri, Ashutosh Kumar Dikshit, TaeYoung Kim, Kumud Malika Tripathi
Summary: Spinel ferrite nanostructures have promising magnetic properties, high resistivity, stability, and low eddy current losses. Their utilization in water remediation and catalysis applications shows great potential for practical applications.
ACS APPLIED NANO MATERIALS
(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)