Article
Chemistry, Physical
Pratyay Amrit, Naoya Kawakami, Yen-Yu Lai, Ryuichi Arafune, Noriaki Takagi, Chun-Liang Lin
Summary: In this study, the localized vibrational properties of a FePc lattice on Au(111) at 77 K were investigated using STM-based IETS. Different adsorption configurations of the first and second monolayers of FePc resulted in distinct IETS spectra.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Madison C. Schwinn, Shahnawaz Rafiq, Changmin Lee, Matthew P. Bland, Thomas W. Song, Vinod K. Sangwan, Mark C. Hersam, Lin X. Chen
Summary: Mixed-dimensional van der Waals heterojunctions exhibit unique interfacial properties and hold promising results for optoelectronic device applications.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Dawei Xu, Xuhui Li, Tingting Zheng, Ruixue Zhao, Pengyu Zhang, Kai Li, Zhongfeng Li, Lirong Zheng, Xia Zuo
Summary: In this study, a series of Fe/N/C catalysts with different proportions and pyrolysis temperatures were prepared by co-pyrolysis of melamine with a gamma-cyclodextrin metal-organic framework (gamma-CD-MOF) containing iron(ii) phthalocyanine (FePc). It was found that gamma-CD-MOF effectively prevented the agglomeration of Fe atoms and obtained catalysts with a three-dimensional porous and internal cavity structure. The obtained FePc@CD/M (1 : 20)-1000 catalyst exhibited superior electrocatalytic performance and methanol tolerance.
NANOSCALE ADVANCES
(2022)
Article
Chemistry, Physical
Xilin Zhang, Xiaodong Li, Weichao Wang, Zongxian Yang
Summary: Electrolysis of water for hydrogen production is a clean and sustainable method, where the oxygen evolution reaction plays a key role. The attachment of iron phthalocyanine to graphene improves its OER activity by enhancing electron transfer. Various graphene substrates have different effects on the OER activity of iron phthalocyanine, with defective graphene showing the most promotion.
Article
Chemistry, Physical
Hengli Qian, Guanjie Yu, Qidong Hou, Yifan Nie, Chuanyunlong Bai, Xinyu Bai, Haozhi Wang, Meiting Ju
Summary: Efficient degradation of pharmaceutical and personal care products (PPCPs) was achieved using dual reaction centers ZnO@FePc photo-Fenton catalysts, with controlled hydroxyl groups for construction and superior performance attributed to the synergistic effect between the dual reaction centers. The novel method presented demonstrates the importance of efficient photo-generated electron transmission link and strengthens the synergistic effect of dual reaction centers in the ZnO@FePc catalyst.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Chemistry, Multidisciplinary
Zukun Wang, Cheng Sun, Xuehui Xu, Yanping Liu, Zeng Chen, Yang Michael Yang, Haiming Zhu
Summary: By tracking the characteristic electroabsorption signal from separated charges, this study directly observes the electron-hole pair separation process in an organic/2D semiconductor heterostructure. The study shows that the charge delocalization in organic layers plays a key role in the separation process, while the in-plane delocalization of the 2D semiconductor has negligible contribution. This research is important for the future development of efficient organic/2D semiconductor optoelectronic devices.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Youxuan Ni, Weiwei Xie, Jun Chen
Summary: This study investigates the influence of axial coordination on the activity of Fe/Co/Ni-tetraphenylporphyrin covalent organic frameworks (Fe/Co/Ni-TPP COFs) in the oxygen reduction reaction (ORR) using the density functional theory (DFT) method. The commonly used descriptors are found to be insufficient in explaining the axial coordination effect on metal reactivity. The hybridization between the dz2 orbital of metal centers and pz orbital of axial coordination atoms leads to the formation of new active orbitals, which should be considered in the design of activity descriptors.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Cheng-Long Xue, Qian-Qian Yuan, Yong-Jie Xu, Qi-Yuan Li, Li-Guo Dou, Zhen-Yu Jia, Shao-Chun Li
Summary: Using scanning tunneling microscopy/scanning tunneling spectroscopy (STM/STS), we discovered a checkerboard charge order in the epitaxial FeSe/STO monolayer, with a period of four times the inter-iron-atom distance. This ordered state is unique to the superconducting FeSe/STO monolayer and is absent in nonsuperconducting FeSe monolayers or bilayers. Quasi-particle interference measurements confirmed the static nature of this charge order, which is gapped out within the superconductivity gap. The intensity of the charge order is enhanced near the superconducting transition temperature, suggesting a correlation with the high-Tc superconductivity in the FeSe/STO monolayer.
Article
Chemistry, Physical
Guang-Lan Li, Shuo Cao, Zhong-Fa Lu, Xin Wang, Yang Yan, Ce Hao
Summary: The bifunctional oxygen activity of layered double hydroxides (LDHs) is enhanced by modifying them with iron phthalocyanine (FePc) nanoclusters and Ti3C2, resulting in the engineered FePc-NiCo-LDH/Ti3C2 catalyst. This catalyst exhibits excellent performance in oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), making it one of the most active samples among the analogues. The Zn-air battery assembled with FePc-NiCo-LDH/Ti3C2 as the air electrode shows high peak power density and long discharge time, highlighting the significance of this direct engineering strategy in renewable clean energy devices.
APPLIED SURFACE SCIENCE
(2022)
Article
Electrochemistry
Zhanwei Xu, Hao Yan, Kai Yao, Kang Li, Jiayin Li, Keren Jiang, Zhi Li
Summary: A FePc/AC catalyst was synthesized using a solid-state approach for the reduction reaction of SOCl2 in lithium/thionyl chloride batteries. The FePc/AC catalyst significantly increased the average voltage of the battery and formed a nano-scale LiCl film, facilitating micro-diffusion of the electrolyte SOCl2.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Y. Feng, Z. C. Yan, Q. Chen, H. Zhang, Z. G. Qi, H. Z. Liu, Y. W. Bai, W. M. Wang
Summary: It is found in this study that the glass-forming ability and soft magnetic properties of Fe-based ribbons can be significantly improved by adding Si, while the mechanical properties are also significantly enhanced. This will help in exploring a new type of Fe-based amorphous alloy with excellent performance.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Katharina Greulich, Martin Trautmann, Axel Belser, Sven Boelke, Reimer Karstens, Peter Nagel, Stefan Schuppler, Michael Merz, Angelika Chasse, Thomas Chasse, Heiko Peisert
Summary: The electronic structures of iron phthalocyanine (FePc) and perfluorinated iron phthalocyanine (FePcF16) in thin films were studied using X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD), revealing differences in shape and magnetic moments, with FePc exhibiting stronger magnetic signals at low temperatures. Multiple calculations were used to simulate the XA and XMCD spectra to provide insights into the electronic structures of Fe in FePc and FePcF16, with the arrangement of molecules in thin films playing a crucial role.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Maria Perez-Cadenas, Esther Asedegbega-Nieto, Jonathan Carter, James A. Anderson, Inmaculada Rodriguez-Ramos, Antonio Guerrero-Ruiz
Summary: Carbon nanotubes were prepared by modified CVD method and treated with acidic and basic solutions to introduce specific surface functional groups. The treated CNTs were reacted with a non-ionic Fe complex to form three composites, and various characterization techniques were used to study the interaction between them. The results showed that the interaction between the complex and CNT was greatly influenced by the functionalization of the latter.
Article
Chemistry, Physical
Naomi Helsel, Pabitra Choudhury
Summary: This work analyzes the optimization of a potential Pt-free cathode fuel cell catalyst, GFePc, by regulating the e(g) orbital filling states via substrate doping and/or ligand exchange. The results show that boron-doped graphene can lower the overpotential of the rate-limiting step, making its activity comparable to that of the Pt cathode. Additionally, substrate doping and ligand exchange can also enhance the ORR activity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Huihui Xiong, Baixiong Liu, Haihui Zhang, Jing Qin
Summary: The study used density functional theory calculations to investigate the adsorption behaviors of H2CO and COCl2 on phthalocyanine monolayers, finding that doping Al, Cr, and Fe atoms can efficiently regulate the adsorption ability. The Cr-Pc monolayer shows promise as a sustainable gas sensor for formaldehyde detection.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Robert D. J. Oliver, Pietro Caprioglio, Francisco Pena-Camargo, Leonardo R. V. Buizza, Fengshuo Zu, Alexandra J. Ramadan, Silvia G. Motti, Suhas Mahesh, Melissa M. McCarthy, Jonathan H. Warby, Yen-Hung Lin, Norbert Koch, Steve Albrecht, Laura M. Herz, Michael B. Johnston, Dieter Neher, Martin Stolterfoht, Henry J. Snaith
Summary: Research on wide bandgap metal-halide perovskites (MHPs) has intensified due to their potential for high efficiency solar cells. However, these perovskites face challenges with non-radiative losses and interface limitations that hinder their performance. By investigating energy losses and introducing specific treatments, such as the ionic additive 1-butyl-1-methylpipiderinium tetrafluoroborate, the researchers were able to improve the efficiency of MA-free wide bandgap perovskite solar cells.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Boubacar Traore, Pooja Basera, Alexandra J. Ramadan, Henry J. Snaith, Claudine Katan, Jacky Even
Summary: The study proposes a computational methodology to investigate the connection between surface and interface dipoles with work functions or valence band alignments, focusing on halide perovskites. It emphasizes the role of surface coating, functionalization, and strain relaxation in energy level alignments, presenting a tool to interpret band alignments in complex perovskite-based heterostructures and multilayered thin film devices utilizing results from atomistic calculations and classical simulation approaches.
ACS ENERGY LETTERS
(2022)
Article
Spectroscopy
D. Phil Woodruff
Summary: The paper provides a historical introduction and explains the distinction between two modes of photoelectron diffraction and two modes of data collection. It reviews the energy-scan backscattering photoelectron diffraction technique and presents examples of its application. The paper also discusses future prospects for the technique.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
(2022)
Article
Chemistry, Physical
Philip J. Mousley, Luke A. Rochford, Paul T. P. Ryan, Philip Blowey, James Lawrence, David A. Duncan, Hadeel Hussain, Billal Sohail, Tien-Lin Lee, Gavin R. Bell, Giovanni Costantini, Reinhard J. Maurer, Christopher Nicklin, D. Phil Woodruff
Summary: Surface X-ray diffraction provides unambiguous structural information when studying the phenomenon of metal substrate adatom incorporation into molecular overlayers. Experimental evidence from scanning tunneling microscopy can be ambiguous and lacks quantitative information. The structural study of the Au(111)-F4TCNQ system shows agreement between experimental and theoretical data, providing insight into the height and conformation of the adsorbed molecule.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Paul Ryan, Philip James Blowey, Billal S. Sohail, Luke A. Rochford, David A. Duncan, Tien-Lin Lee, Peter Starrs, Giovanni Costantini, Reinhard J. Maurer, David Phillip Woodruff
Summary: A quantitative structural investigation was conducted to explore the incorporation of substrate adatoms into monolayers formed by strong molecular electron acceptors deposited onto metallic electrodes. The study found that TCNQ and F4TCNQ on Ag(100) represent ideal model systems lying at the boundary between these two possibilities. This behavior is consistent with adsorption energetics, indicating that the inclusion (or exclusion) of metal atoms into organic monolayers results from both thermodynamic and kinetic factors.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Kilian B. Lohmann, Silvia G. Motti, Robert D. J. Oliver, Alexandra J. Ramadan, Harry C. Sansom, Qimu Yuan, Karim A. Elmestekawy, Jay B. Patel, James M. Ball, Laura M. Herz, Henry J. Snaith, Michael B. Johnston
Summary: This study investigates the growth and optoelectronic properties of perovskite solar cells fabricated using vapor deposition method by partially substituting PbI2 for PbCl2. The results show that the partial substitution of PbI2 for PbCl2 significantly improves the photoluminescence lifetimes, photoluminescence quantum yields, and charge-carrier mobility of perovskite thin films, resulting in improved power conversion efficiency of solar cells.
ACS ENERGY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Hochan Song, Jonghee Yang, Woo Hyeon Jeong, Jeongjae Lee, Tack Ho Lee, Jung Won Yoon, Hajin Lee, Alexandra J. Ramadan, Robert D. J. Oliver, Seong Chan Cho, Seul Gi Lim, Ji Won Jang, Zhongkai Yu, Jae Taek Oh, Eui Dae Jung, Myoung Hoon Song, Sung Heum Park, James R. Durrant, Henry J. Snaith, Sang Uck Lee, Bo Ram Lee, Hyosung Choi
Summary: This study explores a method to achieve high efficiency and stability in semiconducting lead halide perovskite nanocrystals (PNCs) through a single processing strategy by finding suitable surface ligands. The PNC ink prepared using this method can be used to fabricate both LED and PV devices, with peak electroluminescence external quantum efficiency of 17.00% and power conversion efficiency of 14.92%. It is found that a careful design of the aromatic rings in the ligands is crucial for achieving high performance, ease of processing, and improved phase stability. This research demonstrates the role of ligand design in PNC ink formulations for high-throughput production of optoelectronic devices and paves the way for dual-mode devices with both PV and LED functionalities.
ADVANCED MATERIALS
(2023)
Article
Physics, Applied
Benedikt P. Klein, Matthew A. Stoodley, Matthew Edmondson, Luke A. Rochford, Marc Walker, Lars Sattler, Sebastian M. Weber, Gerhard Hilt, Leon B. S. Williams, Tien-Lin Lee, Alex Saywell, Reinhard J. Maurer, David A. Duncan
Summary: This study demonstrates the formation of graphene through ultra-high vacuum deposition of polycyclic aromatic hydrocarbons azupyrene and pyrene on a Cu(111) surface at a temperature of 1000 K. Various characterization techniques, such as scanning tunneling microscopy, x-ray photoelectron spectroscopy, angle-resolved photoemission spectroscopy, Raman spectroscopy, and low energy electron diffraction, confirm the presence of graphene. The formation of the hexagonal graphene lattice differs for pyrene and azupyrene, with the latter requiring a rearrangement of its non-alternant topology. The thermal synthesis route to graphene in this study is performed at relatively low temperatures and under ultra-high vacuum conditions, enabling controlled investigations in a clean environment inaccessible with traditional precursors.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
B. Sohail, P. J. Blowey, L. A. Rochford, P. T. P. Ryan, D. A. Duncan, T. -l. Lee, P. Starrs, G. Costantini, D. P. Woodruff, R. J. Maurer
Summary: This study investigates the influence of coadsorbed electron-donating alkali atoms and TCNQ on the Ag(100) surface through a combination of experimental and theoretical methods. Various coadsorption phases are characterized, and the quantitative structures are compared with density functional theory calculations. The adsorption structures depend on the interplay of molecule-metal charge transfer and dispersion forces, which are controlled by the composition ratio between alkali atoms and TCNQ. The work function is predicted to have a strong dependence on the alkali donor-TCNQ acceptor coadsorption ratio.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Emil G. Dyrvik, Jonathan H. Warby, Melissa M. McCarthy, Alexandra J. Ramadan, Karl-Augustin Zaininger, Andreas E. Lauritzen, Suhas Mahesh, Robert A. Taylor, Henry J. Snaith
Summary: In this study, a thin Al2O3 layer grown by atomic layer deposition was used to selectively cover regions of imperfect hole transport layer deposition and form an intermixed composite with the organic transport layer. This technique improved electroluminescent external quantum efficiency in PeLEDs by reducing nonradiative recombination and improving carrier selectivity. The results show great potential for scale-up and application in other fields.
Article
Chemistry, Physical
Philip J. Mousley, D. Phil Woodruff, Luke A. Rochford, Hadeel Hussain, Stefania Moro, Pengcheng Ding, Gavin R. Bell, Giovanni Costantini, Christopher Nicklin
Summary: Surface X-ray diffraction (SXRD) experiments provide direct evidence for the incorporation of Ag adatoms into the TCNQ molecular overlayer. This finding confirms the previous indirect evidence obtained from normal-incidence X-ray standing waves (NIXSW) experiments and density functional theory (DFT) calculations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Review
Nanoscience & Nanotechnology
Alexandra J. Ramadan, Robert D. J. Oliver, Michael B. Johnston, Henry J. Snaith
Summary: This review discusses the challenges, progress, and future development strategies of methylammonium-free wide-bandgap perovskites. Despite their attractiveness in tandem photovoltaics, wide-bandgap perovskites without methylammonium perform worse than their counterparts with methylammonium and narrower bandgap. Researchers need to address the energy-loss pathways that currently constrain their performance.
NATURE REVIEWS 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)
