Article
Chemistry, Physical
Hong Li, Yuhang Liu, Shuai Sun, Fengbin Liu, Jing Lu
Summary: In this study, monolayer AlN and GaN metal-oxidesemiconductor field-effect transistors (MOSFETs) were simulated using ab initio quantum transport simulation. It was found that the n-type ML AlN (GaN) MOSFETs outperform their p-type counterparts and can exceed the 2028 IRDS low-power and high-performance targets at gate lengths of 3nm and 2nm, respectively. The optimal n-type ML AlN (GaN) MOSFETs exhibit the highest (second-highest) I-on among all studied n-type ML MOSFETs and push the gate length limit beyond the 2013 ITRS targets, reaching 2nm and 1nm for low-power and high-performance, respectively.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Lei Tang, Runzhang Xu, Junyang Tan, Yuting Luo, Jingyun Zou, Zongteng Zhang, Rongjie Zhang, Yue Zhao, Junhao Lin, Xiaolong Zou, Bilu Liu, Hui-Ming Cheng
Summary: This study reports the in situ substitutional doping of niobium into monolayer transition metal dichalcogenides (TMDCs) with tunable concentrations during chemical vapor deposition, showing that niobium doping can modulate the electronic structure of TMDCs and improve their performance in electronic related applications.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Haiming Deng, Qianqian Zhu, Chao Kong, Guixian Tang, Jun Cao, Tao Han, Chunzhi Jiang, Yi Peng
Summary: The effect of vacancy defects and substitutional doping with 3d transition metal atoms on the properties of monolayer Mo8S12 were investigated using first-principles calculations. It was found that certain vacancies and doping cases result in magnetic and half-metallic behavior in Mo8S12. These theoretical findings have important implications for the design and development of novel electronic and spintronic devices based on Mo8S12.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Mengke Kang, Changqing Lin, Huan Yang, Yabin Guo, Lixuan Liu, Tianyu Xue, Youwen Liu, Yongji Gong, Zhisheng Zhao, Tianyou Zhai, Kun Zhai, Anmin Nie, Yingchun Cheng, Zhongyuan Liu
Summary: The development of stable and low-cost catalysts to replace Pt-based ones is challenging for hydrogen evolution reaction (HER). Incorporating single foreign Fe atoms to substitute W atoms in sandwiched two-dimensional WS2 has been proposed as a strategy to enhance catalytic reactivity for HER. The charge transfer between the doped Fe atom and neighboring S atoms on the surface activates the proximate S atoms for HER.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Chuanchuan Zhang, Xuan Chen, Biaobing Cao, Haiming Duan, Qihua Sun, Fangping Ouyang
Summary: Substitutional doping of Te atoms for Se atoms in InSe monolayers can effectively adjust the electronic structure, leading to a transition from indirect to direct band gap. The band gap reaches a maximum of 1.64 eV at a Te concentration of 33.3% before gradually decreasing to 1.08 eV.
APPLIED SURFACE SCIENCE
(2022)
Article
Physics, Condensed Matter
Zhenguo Zhuo, Fei Yang, Junnan Han, Xincheng Cao, Yue Tao, Le Zhang, Wenjin Liu, Ziyue Zhu, Yuehua Dai
Summary: The substitutional doping of N, P, and As atoms at S sites greatly enhances charge transfer and device performance in MoS2/graphene structures. Additionally, the manipulation of biaxial strain and external forces can convert different contact characteristics in MoS2/graphene heterostructures.
SUPERLATTICES AND MICROSTRUCTURES
(2021)
Article
Physics, Condensed Matter
Kiana Falahati, Ali Khatibi, Babak Shokri
Summary: First-principles calculations were used to investigate the band tuning in tungsten disulfide monolayer due to nitrogen and phosphorous doping. The results show that doping affects lattice parameters and reduces the band gap. Nitrogen and phosphorus doping lead to changes in the band structure and doping concentration has a significant impact on spin splitting.
MICRO AND NANOSTRUCTURES
(2022)
Article
Chemistry, Physical
Dmitri S. S. Arteev, Alexei V. V. Sakharov, Wsevolod V. V. Lundin, Evgenii E. E. Zavarin, Andrey E. E. Nikolaev, Andrey F. F. Tsatsulnikov, Viktor M. M. Ustinov
Summary: This study investigates the influence of Fe segregation on the electrical properties of two-dimensional electron gas in AlGaN/AlN/GaN heterostructures. It was found that the concentration and mobility of the electron gas decrease with thinner channel layer thickness, leading to an increase in sheet resistance. The drop in mobility is attributed to a combination of ionized impurity scattering and various scattering effects.
Article
Chemistry, Multidisciplinary
Eugenii Evropeitsev, Dmitrii Nechaev, Valentin Jmerik, Yuriy Zadiranov, Marina Kulagina, Sergey Troshkov, Yulia Guseva, Daryia Berezina, Tatiana Shubina, Alexey Toropov
Summary: GaN/AlN heterostructures with thicknesses of one monolayer are considered to be the most promising material for UVC light-emitting devices. However, the intrinsic properties of these excitons are masked by fluctuations in the quantum wells' thicknesses. In this work, cylindrical nanocolumns were fabricated to reduce this effect, and it was found that excitons were localized on potential fluctuations attributed to GaN clusters. The emission dynamics were also found to be temperature-dependent.
Article
Physics, Applied
Yuta Itoh, Shun Lu, Hirotaka Watanabe, Manato Deki, Shugo Nitta, Yoshio Honda, Atsushi Tanaka, Hiroshi Amano
Summary: The research evaluated the diffusion of Mg from GaN/Mg mixture into GaN. It was found that the diffusion depth of Mg increased with temperature, while the Mg concentration remained constant. The Mg-diffused GaN samples exhibited p-type conductivity with a high hole mobility.
APPLIED PHYSICS EXPRESS
(2022)
Article
Physics, Condensed Matter
A. Bafekry, M. Faraji, S. Karbasizadeh, H. R. Jappor, I. Abdolhosseini Sarsari, M. Ghergherehchi, D. Gogova
Summary: This study explores the effects of defect engineering on the electronic and magnetic properties of the AlSb monolayer. Experimental reports, phonon band structure calculations, and cohesive energy calculations confirm the stability of the AlSb monolayer and reveal that substitutional doping and vacancy defects can change its electronic properties from semiconducting to metallic. Additionally, the introduction of Mg-Sb impurity adds ferromagnetic behavior to the material. Formation energy calculations show that the stability of vacancy defects differs under different conditions. This theoretical study aims to inspire experimentalists to focus on the growth of AlSb monolayers with different impurities, as defect engineering is a powerful tool to tune the properties of these novel two-dimensional materials for advanced nanoelectronic applications.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Multidisciplinary
Tianyi Zhang, Mingzu Liu, Kazunori Fujisawa, Michael Lucking, Kory Beach, Fu Zhang, Maruda Shanmugasundaram, Andrey Krayev, William Murray, Yu Lei, Zhuohang Yu, David Sanchez, Zhiwen Liu, Humberto Terrones, Ana Laura Elias, Mauricio Terrones
Summary: Controlling the density and spatial distribution of substitutional dopants in semiconductors is essential for achieving desired physicochemical properties. This study demonstrates that edge termination is an important characteristic of 2D transition metal dichalcogenide monocrystals that affects the distribution of substitutional dopants. By utilizing chemical vapor deposition, it is found that sulfur-terminated domains have a higher density of dopants compared to tungsten-terminated domains in monolayer WS2. This edge-dependent dopant distribution can be utilized as a novel technique for engineering the spatial distribution of substitutional dopants in crystalline TMD monolayers.
Review
Materials Science, Multidisciplinary
Valentin Jmerik, Alexey Toropov, Valery Davydov, Sergey Ivanov
Summary: This review focuses on the recent progress in the development of monolayer-thick GaN/AlN multilayer heterostructures for deep-ultraviolet optoelectronics. The advantages of different epitaxial methods and characterization techniques are compared, while the optical properties of ML-thick GaN/AlN quantum wells and their potential in UVC emitter applications are investigated.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Mengchen Wang, Wenhui Wang, Yong Zhang, Xing Liu, Lei Gao, Xiaoxue Jing, Zhenliang Hu, Junpeng Lu, Zhenhua Ni
Summary: The study introduces a method for achieving controllable n-type doping in WSe2 monolayers through electron beam irradiation, demonstrating successful n-doping effects that can be precisely controlled. This method significantly enhances the current and electron field-effect mobility of monolayer WSe2 without significant reduction in electrical performance or severe damage to lattice structures.
CHINESE CHEMICAL LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Biying Tan, You Wu, Feng Gao, Huihui Yang, Yunxia Hu, Huiming Shang, Xin Zhang, Jia Zhang, Zhonghua Li, YongQing Fu, Dechang Jia, Yu Zhou, Haiying Xiao, PingAn Hu
Summary: In this study, a new method was reported to enhance the optoelectronic properties of hBN monolayers by substitutively doping with sulfur on a molten Au substrate. The S atoms were more favorable to be doped in the N sites of hBN and formed a new conduction band edge, narrowing the band gap. The doping of sulfur improved the conductivity and optoelectronic properties of hBN.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Rabin Mahat, K. C. Shambhu, Daniel Wines, Sudhir Regmi, Upama Karki, Zhong Li, Fatih Ersan, JiaYan Law, Can Ataca, Victorino Franco, Arunava Gupta, Patrick LeClair
Summary: The combined experimental and theoretical studies on the effect of Cr substitution for Fe in Fe3-xCrxGe (0 <= x <= 1) intermetallic alloys show significant changes in structural, magnetic, transport, electronic, and mechanical properties. The increase in Cr content leads to enhanced magnetization and hardness of the alloys. In addition, Cr substitution in Fe3Ge alloys exhibits an affinity towards one of the Fe sites.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Physics, Condensed Matter
Yusuf Zuntu Abdullahi, Zeynep Demir Vatansever, Ethem Akturk, Umit Akinci, Olcay Uzengi Akturk
Summary: Novel two-dimensional tetragonal CrXB2 (X = Mn, V) sheets exhibit metallic ferromagnetism and great stability at elevated temperatures. Alloying pure Cr2B2 with Mn and V atoms results in an antiferromagnetic-ferromagnetic (AFM-FM) transition.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2021)
Article
Physics, Applied
Yusuf Zuntu Abdullahi, Fatih Ersan, Ethem Akturk, Olcay Uzengi Akturk
Summary: The study theoretically designs a series of X2BC materials as anode materials for lithium-ion and sodium-ion batteries, showing that they possess intrinsic metal properties and good stability. Among them, Mg2BC, Ca2BC, and Ti2BC exhibit high specific capacities, making them promising candidates for battery applications.
PHYSICAL REVIEW APPLIED
(2021)
Article
Materials Science, Multidisciplinary
Yusuf Zuntu Abdullahi, Zeynep Demir Vatansever, Ethem Akturk, Umit Akinci, Olcay Uzengi Akturk
Summary: A new 2D tetragonal phase of transition metal alloyed boron-carbide (t-CrFeBC) sheet with ferromagnetic ground state and metallic electronic property has been identified through first-principles calculations and MC simulations. The sheet exhibits sizable magnetic anisotropy energy of 120 mu eV per CrFe alloy, with an in-plane easy axis magnetization direction. Hysteresis loops and related properties confirm the ferromagnetism of the sheet, while MC simulations show it to be a soft magnetic material suitable for advanced magnetic device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
Yusuf Zuntu Abdullahi, Zeynep Demir Vatansever, Ethem Akturk, Umit Akinci, Olcay Uzengi Akturk
Summary: The study demonstrates the potential of tetragonal Cr2B2 and CrRuB2 phases for antiferromagnetic spintronics through density functional theory calculations and Monte Carlo simulations, showing their dynamic and thermal stability as well as high Neel temperatures. The ground state spin ordering of these structures is found to be antiferromagnetic, with tetragonal Cr2B2 exhibiting significant magnetic anisotropy energy.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Physics, Condensed Matter
Ese Akpinar, Yelda Kadioglu, Ilkay Ozdemir, Gokhan Gokoglu, Ethem Akturk
Summary: The study investigates the adsorption of various transition metal dioxide molecules on pristine MoS2 monolayer and the binding of H2O molecule on MO+MoS2 system. The results show that the interaction between the MoS2 surface and molecules is strong, with possible formation of chemisorption bonds. Metal oxides can alter the electronic and magnetic nature of surfaces, even with weak van der Waals interactions.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Chemistry, Physical
T. Gorkan, H. Arkin, E. Akturk
Summary: This study investigates the interaction between Ti2C and neurotransmitters and amino acids using density functional theory. The molecules dissociate on the Ti2C surface, leading to significant charge transfer and changes in electronic and magnetic properties. The presence of vacancies and surface terminations also affects the behavior of molecules adsorbed on Ti2C.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Salih Demirci, Taylan Gorkan, Safak Callioglu, V. Ongun Ozcelik, Johannes Barth, Ethem Aktuerk, Salim Ciraci
Summary: A hydrogenated carbon monolayer exhibits various functionalities and can be used in composite structures with topological properties. It has applications in energy storage and optoelectronics, and the commensurability of different materials ensures the effectiveness of these functionalities.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Taylan Gorkan, Salih Demirci, Johannes V. Barth, Ethem Aktuerk, Salim Ciraci
Summary: Based on first-principles calculations, it is predicted that the 2H-MoS2 monolayer can also exist in a stable biphenylene network phase (B-MoS2). B-MoS2 has a narrow band gap, directional electronic conduction, and strong absorption in the near-infrared region. It can form multilayers and a metallic 3D layered crystal, and its band gap can be modulated under applied strains.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Taylan Gorkan, Jyotirish Das, Jesse Kapeghian, Muhammad Akram, Johannes V. Barth, Sefaattin Tongay, Ethem Akturk, Onur Erten, Antia S. Botana
Summary: We propose a comprehensive theory of magnetic phases in monolayer nickel-based Janus dihalides (NiIBr, NiICl, NiBrCl) using first-principles calculations and atomistic simulations. Phonon band structure calculations and finite-temperature molecular dynamics simulations demonstrate the stability of Ni-dihalide Janus monolayers. The parameters of the interacting spin Hamiltonian obtained from ab initio calculations show various degrees of magnetic frustration and a large Dzyaloshinskii-Moriya interaction due to inversion symmetry breaking in nickel-dihalide Janus monolayers. Atomistic simulations reveal the delicate interplay between these competing magnetic interactions, leading to the formation of skyrmions.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Physical
Salih Demirci, Taylan Gorkan, Ethem Akturk, Salim Ciraci
Summary: Graphene can be fully or partially hydrogenated to form graphane and graphone, respectively. Composite structures/heterostructures can be constructed by patterned dehydrogenation of graphane or graphone, which exhibit diverse physical properties. These composite structures offer various quantum structures and functionalities with potential applications in spintronics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Engineering, Electrical & Electronic
Taylan Gorkan, Safak Callioglu, Salih Demirci, Ethem Aktuerk, Salim Ciraci
Summary: We investigated the effects of vacancy, void, substitutional impurity, isolated adsorption of selected adatoms, and their patterned coverage on the physical and chemical properties of metallic carbon and silicon monolayers in a biphenylene network. These monolayers can acquire diverse electronic and magnetic properties to become more functional depending on the repeating symmetry, size of the point defects, and on the type of adsorbed adatoms. The opening of a gap in the metallic density of states, which depends on the pattern and density of adsorbed hydrogen, oxygen, and carbon adatoms, can be used as the band gap engineering of these two-dimensional materials. The energy barriers against the passage of oxygen atoms through the centers of hexagon and octagon rings are investigated, and the coating of the active surfaces with carbon monolayers is exploited as a means of protection against oxidation. We showed that the repulsive forces exerting even at distant separations between two parallel, hydrogenated carbon monolayers in a biphenylene network can lead to the superlow friction features in their sliding motion. All these results obtained from the calculations using the density functional theory herald critical applications.
ACS APPLIED ELECTRONIC MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Salih Demirci, Safak Callioglu, Taylan Gorkan, Ethem Akturk, Salim Ciraci
Summary: We predict that specific elements and compounds can form stable 2D monolayers with unique physical and chemical properties, different from those of known 2D materials. These materials can range from metals to semiconductors and exhibit diverse structures and properties.
Article
Chemistry, Physical
Yusuf Zuntu Abdullahi, Zeynep Demir Vatansever, Fatih Ersan, Umit Akinci, Olcay Uzengi Akturk, Ethem Akturk
Summary: The study reveals that transition metal boro-carbide monolayers prefer a tetragonal crystal structure, exhibiting stable magnetic metal electronic structures with tunable magnetic anisotropy energies. Theoretical calculations suggest that these materials have great potential for future applications in the design of controllable spintronic devices.
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)