Review
Nanoscience & Nanotechnology
Huu Duc Luong, Thien Lan Tran, Viet Bac Thi Phung, Van An Dinh
Summary: Small polarons formed by charge carriers and their self-induced distortion play a crucial role in the diffusion of charge carriers in cathode materials containing transition metal elements. The coupling of alkali ions with small polarons creates a complex quasi-particle, and a simultaneous diffusion simulation approach can be used to investigate the diffusion mechanism in cathodic materials effectively.
JOURNAL OF SCIENCE-ADVANCED MATERIALS AND DEVICES
(2022)
Article
Chemistry, Physical
Xudong Liu, Zhibin Ye
Summary: This study introduces a group of organic nitroaromatic compounds as novel high-energy cathode materials with record-high reversible capacities, demonstrating potential for next-generation alkali-ion batteries.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Huu Duc Luong, Van An Dinh, Hiroyoshi Momida, Tamio Oguchi
Summary: A novel orthorhombic phase of tavorite-like A(x)VPO(4)F cathodes for Li-ion and Na-ion batteries is proposed theoretically, which exhibit high voltage and capacity. The effect of small polaron on ion diffusion mechanism significantly accelerates the Li/Na-ion diffusion in these cathodes.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Bohua Deng, Ning Yue, Haoyang Dong, Qiuyue Gui, Liang Xiao, Jinping Liu
Summary: A new type of flexible Na-3(VOPO4)(2)F cathode with nanocubes tightly assembled on carbon cloth is fabricated for the first time, showing superior rate capability, stable cycling performance, and good mechanical flexibility. When assembled with a directly-grown Na2Ti2O5 anode, a fully binder-free Na-ion battery is achieved with high working voltage, increased gravimetric energy/power densities, and the ability to power a LED indicator at bending angles from 0 degrees to 180 degrees.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Physical
Sravan Baddi, Usman Ghani, Juexin Huang, Qinglei Liu, Chuan-Liang Feng
Summary: By using a simple self-assembly strategy, nanoarchitectures were synthesized as anode materials for sodium-ion batteries, showing high capacity and cycle stability. The nanofiber electrode exhibited a high specific capacity of 271 mAh g-1 at a current density of 50 mA g-1, maintaining a capacity retention of 97% after 200 cycles. Furthermore, it retained 85% capacity after 1000 charge-discharge cycles at a high current density of 1 A g-1. The nanofiber structure enhanced electrochemical properties and the carboxylic group decreased solubility in the organic electrolyte, making it a potential material for sustainable and stable organic anodes in sodium-ion batteries.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Physical
Junghoon Yang, Jin-Myoung Lim, Mihui Park, Gi-Hyeok Lee, Suwon Lee, Maenghyo Cho, Yong-Mook Kang
Summary: Layer-structured oxide cathodes have various phases depending on Na ion contents, with off-stoichiometry impacting properties like capacity and cyclic stability. Thermal activation process helps maintain stoichiometry, reduce Na ion loss, and improve electrochemical performance of materials.
ADVANCED ENERGY MATERIALS
(2021)
Review
Materials Science, Multidisciplinary
Zhi Zheng, Chang Wu, Qinfen Gu, Konstantin Konstantinov, Jiazhao Wang
Summary: Rechargeable sodium-oxygen and sodium-carbon dioxide batteries have the potential for high energy density and practical applications, but they are currently hindered by challenges such as low efficiency and limited cycle life. Understanding the working principles and reactions of electrodes is crucial for achieving their practical application, with a focus on mechanisms, anode protection, and electrolyte stability.
ENERGY & ENVIRONMENTAL MATERIALS
(2021)
Article
Chemistry, Physical
Dominika Baster, Lukasz Kondracki, Emad Oveisi, Sigita Trabesinger, Hubert H. Girault
Summary: Sodium-vanadium hexacyanoferrate shows high and stable working potential in a liquid organic electrolyte, achieving excellent capacity retention after 200 cycles. Vanadium substitution in the Prussian blue crystal structure improves cycle life and represents progress in developing cathode materials for Na-ion batteries.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Xiaoqin Huang, Deli Li, Haijian Huang, Xiao Jiang, Zeheng Yang, Weixin Zhang
Summary: The Zn/Mg dual-doped P2-Na0.67MnO2 with lower Mn3+/Mn4+ ratio and higher lattice O content shows improved structural stability and enhanced ion diffusion, leading to high rate performance and decent cycling stability. This co-doping strategy provides a promising avenue for further enhancing the performance of layered Na-ion batteries cathode materials.
Article
Chemistry, Multidisciplinary
Yueyue He, Soeren L. Dreyer, Yin-Ying Ting, Yuan Ma, Yang Hu, Damian Goonetilleke, Yushu Tang, Thomas Diemant, Bei Zhou, Piotr M. Kowalski, Maximilian Fichtner, Horst Hahn, Jasmin Aghassi-Hagmann, Torsten Brezesinski, Ben Breitung, Yanjiao Ma
Summary: The high-entropy approach is applied to address the issue of unfavorable multilevel phase transitions in Na-ion cathodes, leading to poor stability and capacity decay. By synthesizing Mn-based samples with multiple metal species, a superior cathode material for Na-ion batteries, exhibiting high cyclability, is discovered. Computational comparisons and characterization techniques provide insights into the benefits of high-entropy structure, such as suppression of phase transitions and mitigation of gas evolution, during battery operation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Multidisciplinary Sciences
Zheng-Long Xu, Jooha Park, Jian Wang, Hyunseok Moon, Gabin Yoon, Jongwoo Lim, Yoon-Joo Ko, Sung-Pyo Cho, Sang-Young Lee, Kisuk Kang
Summary: Rechargeable calcium batteries have faced challenges in developing suitable cathodes to accommodate large and divalent Ca2+ ions. A new intercalation host derived from Na0.5VPO4.8F0.7 has shown exceptional cycle life and power capability in calcium batteries, offering potential solutions to the current bottleneck in calcium battery development.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
A. Shahul Hameed, Mirai Ohara, Kei Kubota, Shinichi Komaba
Summary: A phosphite-based layered polyanionic material was explored as a positive electrode for Na-ion batteries with high energy density and long cycle life. The material exhibited high discharge capacity in Na half-cells, and capacity fading was overcome through ball-milling with carbon. The layered material facilitated the migration of large Na+ ions, resulting in superior rate performance and long-term cycling stability.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Review
Chemistry, Multidisciplinary
Yiyang Liu, Guanjie He, Hao Jiang, Ivan P. Parkin, Paul R. Shearing, Dan J. L. Brett
Summary: With the rapid growth of renewable energy, the development of energy storage devices faces challenges. Aqueous batteries using multivalent ions have advantages over lithium-ion and lead-acid batteries, but still encounter obstacles that require further exploration.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Cuicui Li, Lu Lin, Wanlong Wu, Xiaoqi Sun
Summary: The authors present a new polyanion cathode material, KVPCH, which exhibits high redox potential and contains structural water, enabling efficient reversible Mg2+ intercalation at high potential. This work provides effective paths for the design of cathode materials for Mg-ion batteries.
Article
Chemistry, Multidisciplinary
Haoji Wang, Xu Gao, Shu Zhang, Yu Mei, Lianshan Ni, Jinqiang Gao, Huanqing Liu, Ningyun Hong, Baichao Zhang, Fangjun Zhu, Wentao Deng, Guoqiang Zou, Hongshuai Hou, Xiao-Yu Cao, Hongyi Chen, Xiaobo Ji
Summary: A configurational entropy tuning protocol is proposed to design Na-deficient, O3-type Na x TmO2 cathodes, which can enhance the kinetics and stability of the electrodes. The entropy effect also contributes to the improved redox reversibility and phase transition behaviors. The prepared entropy-tuned cathode exhibits impressive rate capability, cycling stability, and air stability.
Article
Chemistry, Analytical
Qiong Peng, Javed Rehman, Saadullah G. Aziz, Amel Laref, Munirah D. Albaqami, Reham Ghazi Alotabi, Ahmed Elzatahry, Van An Dinh, Mohamed F. Shibl
Summary: The study investigates the characteristics of 2D silicane Si2H2 using density-functional theory and finds its stable structure and potential applications in optoelectronics and batteries. Silicane material is highly relevant in solar and anodic utilizations.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Otorhinolaryngology
Q. Peng, K. Liu, M. Wang, C. Zhou, S. Zhang, Y. Liu, B. Xie
Summary: This study aimed to compare the pre- and post-operative vestibular and equilibrium functions of patients with cholesteatoma-induced labyrinthine fistulas who underwent different management methods. Data from 49 patients who underwent one of three surgical procedures were retrospectively analysed, and it was found that patients in the obliteration group had better preservation of post-operative vestibular functions compared to those in the fistula repair and canal occlusion groups. Despite receiving different management strategies, all patients achieved complete recovery of equilibrium functions through persistent efforts in rehabilitation exercises.
JOURNAL OF LARYNGOLOGY AND OTOLOGY
(2023)
Article
Chemistry, Physical
Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama
Summary: This study investigates the electronic and ionic conductivities of Li-x(Co, Ni)O-2 layered oxides using Boltzmann transport theory and molecular dynamics at the ab initio level. The calculated results successfully demonstrate the electronic conductivities quantitatively and suggest a microscopic origin of the electronic difference between LixCoO2 and LixNiO2. The ratio and product of the electronic and ionic conductivities are proposed as descriptors for evaluating the battery positive-electrode performance.
JOURNAL OF POWER SOURCES
(2023)
Article
Chemistry, Multidisciplinary
Rizka N. Fadilla, Febdian Rusydi, Roichatul Madinah, Hermawan K. Dipojono, Faozan Ahmad, Mudasir Mudasir, Ira Puspitasari, Yoshitada Morikawa
Summary: Enzymatic hydrolysis is the main method to deal with ACh depletion, but a recent study suggests that non-enzymatic hydrolysis may also contribute to the depletion. This study emphasizes the importance of considering possible conformers, discrete-continuum models, and dispersive effects in investigating the neutral hydrolysis of flexible molecules in aqueous solution. The results confirm the reactivity of high-energy ACh conformer towards neutral hydrolysis and propose conformational changes before hydrolysis. The calculated activation and reaction energy show that the discrete-continuum solvation model provides the closest result to experimental observations. Neglecting dispersive effects results in unreliable structures in the initial state and unreliable activation energy.
Article
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Van An Dinh, Yoshitada Morikawa, Ryoji Asahi
Summary: Titanium dioxide (TiO2) is an important functional material with diverse applications. This study investigated the effects of different projector augmented wave (PAW) potentials on the properties of TiO2 and its phases. The use of PBEsol level and standard PAW potential centered on Ti reproduced the experimental results well. The failure of soft potentials in predicting certain properties was discussed. Hybrid functionals slightly improved the accuracy at the expense of increased computation time. The influence of external hydrostatic pressure on the lattice was also highlighted.
Article
Engineering, Environmental
Purna Prasad Dhakal, Uday Narayan Pan, Mani Ram Kandel, Ram Babu Ghising, Thanh Hai Nguyen, Van An Dinh, Nam Hoon Kim, Joong Hee Lee
Summary: The rational integration of a 2D layered transition metal sulfide and phosphide in a single heterostructure has been achieved to produce hydrogen through controlled manipulation of electronic structure. The hierarchical 2D-2D tangled 3D heterostructure of manganese-doped 1T vanadium disulfide (1T-Mn-VS2) assembled with cobalt phosphide (Co2P) shows significantly low overpotential for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), enabling efficient bifunctional water splitting. Defect engineering and interface modeling validated by DFT study contribute to the fast redistribution of local charges/electron transfer.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Muhammad Rifqi Al Fauzan, Thanh Ngoc Pham, Harry Handoko Halim, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
Summary: In this study, the NO reduction reaction on different Cu surfaces was investigated at various temperatures. It was found that the reaction can occur through monomer dissociation and dimer-mediated dissociation pathways. During the cold start period, dimer-mediated dissociation is the predominant reaction, while at typical catalyst temperatures, monomer dissociation also takes place, leading to a decrease in NO conversion.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Kouji Inagaki, Akira Saito, Hideji Osuga, Yoshitada Morikawa, Yuji Kuwahara
Summary: Chiral recognition behavior leading to the formation of self-assembled zigzag chain structures of rac-[7]thiaheterohelicene on the Ag(111) surface was investigated using density functional theory (DFT) calculations and molecular dynamics (MD) simulations. DFT calculations showed weak interaction between the molecule and the Ag surface, suggesting physisorption of the molecule on the surface. MD simulations provided insight into the initial formation process of the ordered structures, supporting experimental observations. Heterochiral dimers, formed through pi-pi interaction, were identified as crucial building blocks for long-range zigzag chains with alternate arrangement of different enantiomers. The interaction among neighboring chains and the most preferable arrangement of 2D ordered structures were also elucidated.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Condensed Matter
Luong Thi Ta, Yoshitada Morikawa, Ikutaro Hamada
Summary: The electronic and optical properties of the hydrogen boride sheet were studied using the many-body perturbation theory with the perturbative GW (G(0)W(0)) approximation. It was found that the hydrogen boride sheet exhibits a semimetallic electronic structure, confirming previous theoretical studies. Additionally, the optical spectrum calculated based on quasiparticle energies agrees well with experimental results. This work suggests that the G(0)W(0) approximation may be valuable for predicting precise electronic and optical properties of the hydrogen boride sheet and its derivatives.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Physics, Condensed Matter
Harry H. Halim, Ryo Ueda, Yoshitada Morikawa
Summary: The formation of Cu clusters on the Cu(111) surface through adsorbate-induced surface transformation is investigated using molecular dynamics simulations driven by a machine-learning force-field. The simulations show that CO exposure is crucial for the formation of clusters, with no clusters formed on the clean Cu surface even at high temperature. The effect of temperature on cluster formation is also studied.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Miwa Hikichi, Junpei Takeshita, Natsumi Noguchi, Shin-ichi Ito, Yukihiro Yasuda, Luong Thi Ta, Kurt Irvin M. Rojas, Iwao Matsuda, Satoshi Tominaka, Yoshitada Morikawa, Ikutaro Hamada, Masahiro Miyauchi, Takahiro Kondo
Summary: Hydrogen boride (HB), a freestanding 2D hydrogenated-borophene (borophane) polymorph, is synthesized via ion exchange. Control of the BHB/BH bond ratio in HB sheets is achieved by adjusting the volume of ion-exchange resin during synthesis. The ability to control the BHB/BH bond ratio provides new avenues for optimizing the properties of HB sheets for various applications.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Seok Ju Park, Thanh Hai Nguyen, Duy Thanh Tran, Van An Dinh, Joong Hee Lee, Nam Hoon Kim
Summary: Selective etching-expanding preparation of layered ternary transition metal boride nanosheets with rich basal planes and Mo-vacancy defect sites enables the immobilization of Pt single atoms. This material exhibits low overpotential and superior catalytic performance compared to commercial Pt catalysts, making it a potential high-efficiency HER catalyst for practical water electrolysis.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Yuelin Wang, Thanh Ngoc Pham, Harry H. Halim, Likai Yan, Yoshitada Morikawa
Summary: Finding alternative electrocatalysts to replace expensive platinum for oxygen reduction reaction (ORR) is crucial for the development of fuel cells. Nitrogen-doped graphdiyne (GDY) has shown promising ORR electrocatalytic activity, but the roles of different nitrogen dopants in mediating the ORR are still unclear. In this study, we systematically investigated the ORR mechanism on nitrogen-doped GDY supported on graphene with solvation effect. Our results provide valuable insights into the reaction mechanisms of ORR at the solid/liquid interface on nitrogen-doped GDY surface.
MATERIALS ADVANCES
(2023)
Article
Materials Science, Multidisciplinary
Zaka Ullah, Abdul Majeed, Javed Rehman, Ejaz Ahmad Khera, Muhammad Azhar Khan, Fayyaz Hussain, Norah Salem Alsaiari, Muhammad Naeem Khan, Khadijah Mohammed Saleh Katubi, Van An Dinh
Summary: Ba1-xSrxZr0.3Ti0.7O3 materials with different Sr concentrations were synthesized using solid state reaction method. The structural properties and dielectric properties of the samples were investigated. The results showed that the diffusivity and dielectric constant varied with increasing Sr concentration.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
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)