Article
Multidisciplinary Sciences
Maria J. Sampaio, Zhipeng Yu, Joana C. Lopes, Pedro B. Tavares, Claudia G. Silva, Lifeng Liu, Joaquim L. Faria
Summary: Calcination treatments of TiO2 synthesised by the sol-gel method in the range of 500-900°C resulted in materials with variable physicochemical and morphological properties, with the best water oxidation performance achieved at 700°C. Photocatalysts with higher anatase to rutile ratio and surface density of oxygen vacancies displayed the best OER performance, with oxygen defects at the catalyst surface responsible for enhanced photoactivity. Immobilising the photocatalyst with the highest OER rate (TiO2-700) demonstrated remarkable efficiency for oxygen production under continuous mode, exceeding 12% AQE at 384 nm.
SCIENTIFIC REPORTS
(2021)
Article
Physics, Applied
Nhan V. Nguyen, Nam Nguyen, Jason R. Hattrick-Simpers, Oleg A. Kirillov, Martin L. Green
Summary: Transparent conducting oxides have high optical transmittance and are electrically conductive, with differences in optical responses between materials such as TiO2, ZnO, and SnO2. The bandgap and electronic characteristics were determined and discussed in this study.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Min Chen, Jianhua Chen, Chuncheng Chen, Changbin Zhang, Hong He
Summary: The research shows that CuOx-rutile is more suitable for the oxidation of ammonia gas under visible light compared to CuOx-anatase, contrary to previous beliefs. Further analysis revealed that the interaction between CuOx and TiO2 differs significantly in different crystal phases, resulting in distinct directions of charge transfer.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Materials Science, Multidisciplinary
Hussein O. Badr, Francisco Lagunas, Daniel E. Autrey, Jacob Cope, Takayuki Kono, Takeshi Torita, Robert F. Klie, Yong-Jie Hu, Michel W. Barsoum
Summary: We synthesized 1D TiO2-based nanofilaments by reacting Ti-containing precursors with quaternary ammonium hydroxides at near-ambient conditions. The structure was previously believed to be anatase-based, but we now conclude that it is actually a 1D titania lepidocrocite-based structure. The NFs grow along [100] and tend to self-assemble/stack in two directions. The band gap is not affected by the nature of the cations surrounding the NFs.
Article
Chemistry, Physical
Davina Messou, Vincent Bernardin, Frederic Meunier, Marta Borges Ordono, Atsushi Urakawa, Bruno F. Machado, Vincent Colliere, Regis Philippe, Philippe Serp, Carole Le Berre
Summary: The catalytic performances of TiO2-supported Ni catalysts for the methanation of CO2 are investigated, showing that the crystalline phases of TiO2 significantly affect the activity of Ni. Mixing rutile and anatase TiO2 can increase the reaction rate significantly without direct contact between the two catalysts. The synergy between the two catalysts is attributed to hydrogen spillover mediated by surface or gas-phase species.
JOURNAL OF CATALYSIS
(2021)
Review
Chemistry, Multidisciplinary
Diana Rakhmawaty Eddy, Muhamad Diki Permana, Lintang Kumoro Sakti, Geometry Amal Nur Sheha, Solihudin, Sahrul Hidayat, Takahiro Takei, Nobuhiro Kumada, Iman Rahayu
Summary: This study aims to clarify the differences between titanium dioxide polymorphs and their properties in different photocatalytic applications. Homophase titanium dioxide has disadvantages such as high recombination rates and low adsorption capacity. On the other hand, heterophase titanium dioxide can effectively stimulate electron transfer and exhibit superior photocatalytic performance. Various biphase and triphase polymorphs of titanium dioxide are discussed, and the focus is on the synthesis and application of heterophase titanium dioxide as a photocatalyst.
Article
Materials Science, Ceramics
Xiaoping Wu, Yong Liu
Summary: The transformation of anatase titanium dioxide to rutile form is influenced by factors such as heating temperature, heating time, and particle states. The roles of temperature and time in the anatase-rutile transformation for pigmentary TiO2 production are not clearly understood.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Pritha Biswas, Tamara D. Koledin, Skylar N. Farmer, Melissa K. Santala, Janet Tate
Summary: The transformation from amorphous to crystalline in TiO2 films in air leads to different polymorphs, which can be manipulated by introducing Sn into the system. Sn stabilizes the rutile structure at the Sn/TiO2 interfaces by scavenging oxygen, resulting in rutile formation.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Paulina Szoldra, Maksymilian Frac, Radoslaw Lach, Lukasz Zych, Marta Radecka, Anita Trenczek-Zajac, Waldemar Pichor
Summary: This paper presents the synthesis and properties of nanometric TiO2 powders obtained by the sol-gel method at elevated temperatures. The presence of brookite inhibits the anatase-rutile transformation at higher temperatures. Even after the treatment of gel at 700 degrees C, a large amount of anatase in the TiO2 powders was found. Measurements in the UV-vis range were performed to determine the optical band-gap of TiO2. Results of photocatalytic tests for the degradation of RhB and NO under UV are also presented. The obtained powders despite being prepared at this temperature were more efficient in both RhB and NO decomposition compared to the reference sample. The results indicate the possibility of modifying materials that are produced or work at high temperatures, by adding TiO2 with high photocatalytic capacity in the UV range.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
Article
Materials Science, Ceramics
Gloria M. Hernandez Ortiz, Rodrigo Parra, Vanesa Fuchs, Maria A. Fanovich
Summary: An effective method for the synthesis of TiO2-HA composite materials by sol-gel followed by carbon dioxide supercritical drying was presented. The influence of the amount of hydroxyapatite (HA) in the dioxide of titanium (TiO2) matrix on the crystalline structure and microstructure development of the composites was discussed.
JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
(2022)
Article
Thermodynamics
Manoel Y. Manuputty, Casper S. Lindberg, Jochen A. H. Dreyer, Jethro Akroyd, John Edwards, Markus Kraft
Summary: The study explores the relative stability of anatase and rutile in stagnation flame synthesis with stoichiometric mixtures. It shows high sensitivity of anatase-rutile composition to flame dilution and discusses two formation mechanisms/pathways. By applying a particle model and a phase transformation model, it is found that anatase formation is favored in more dilute flames while rutile is favored in less dilute flames.
COMBUSTION AND FLAME
(2021)
Article
Materials Science, Multidisciplinary
Fatemehsadat Moosavi, Alex Lemarchand, Cyrille Bazin, Maria Konstantakopoulou, Mathieu Fregnaux, Christophe Colbeau-Justin, Touraj Tavakoli Gheinani, Andrei Kanaev, Mehrdad Nikravech
Summary: Nanocomposite TiO2 coatings with mixed anatase-rutile crystalline polymorphs and strong adherence to glass substrates were prepared using a spray-plasma deposition method. The coating exhibited enhanced photocatalytic activity for cefixime antibiotic decomposition under UVA light illumination, and the activity significantly increased after the formation of the rutile phase, suggesting a synergistic effect of the two-component solids.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Chemistry, Multidisciplinary
Ying Feng, YongChao Zhu, Tian Chen, Pengcheng Li, Bingjie Liu, Jianfeng Cai, Wenjie Liang, Hai Xu
Summary: Weakly crystalline TiO2 with high catalytic activity was prepared using a simple green chemical oxidation reaction at low temperatures, achieving significant degradation of methylene blue and isopropyl alcohol.
NEW JOURNAL OF CHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Olufemi Olatidoye, Daria Thomas, Bishnu Prasad Bastakoti
Summary: A facile method of synthesizing mesoporous TiO2 thin films using polymeric micelles as a template is reported. The mesoporous TiO2 films showed enhanced photocatalytic activity due to increased surface area and rough surface around the pores. Photocatalytic testing demonstrated the effectiveness of the prepared mesoporous thin films in degrading dyes.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Federica Ceriani, Luca Casanova, Luca Massimini, Andrea Brenna, Marco Ormellese
Summary: This research investigates the influence of two types of particles on the properties of PEO coatings on titanium. The study finds that coatings produced at a specific electrical condition exhibit a thicker and more corrosion-resistant layer, while other treatments affect the structure and performance of the coatings.
Article
Chemistry, Applied
Clement Maheu, Eric Puzenat, Pavel Afanasiev, Luis Cardenas, Christophe Geantet
Summary: This study investigated the influence of seven parameters on the photocatalytic production of hydrogen, including the optimal electron transfer from TiO2 to RuS2 at the rate-determining step. The photon yield showed an optimum at specific co-catalyst loading level, demonstrating the potential for optimizing electron transfer with incident photons having higher energy levels.
Article
Chemistry, Multidisciplinary
Frederic C. Meunier, Luis Cardenas, Helena Kaper, Bretislav Smid, Mykhailo Vorokhta, Remi Grosjean, Daniel Aubert, Kassioge Dembele, Thomas Lunkenbein
Summary: Experimental results show that metallic and oxidized Pt exist in similar proportions on the surface of nanoparticles at 30 degrees C under reaction conditions. The metallic Pt phase provides strong adsorption sites for CO, while the oxidized Pt phase supplies reactive oxygen, enabling a synergy between these phases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Guangtao Chai, Dan Du, Chao Wang, Chuanhui Zhang, Luis Cardenas, Nicolas Bion, Yanglong Guo, Sonia Gil, Anne Giroir-Fendler
Summary: Bulk spinel Co3O4 and supported Co3O4 catalysts were synthesized and characterized for toluene oxidation, showing that Co3O4/YSZ supported catalyst exhibited the highest catalytic activity due to better reducibility, oxygen activation, and mobility induced by the YSZ support properties. The positive interaction between Co3O4 phase and YSZ support was further confirmed to promote intrinsic catalytic properties for toluene oxidation.
APPLIED CATALYSIS A-GENERAL
(2021)
Article
Chemistry, Physical
Lin Jiang, Bas van Dijk, Longfei Wu, Clement Maheu, Jan P. Hofmann, Viorica Tudor, Marc T. M. Koper, Dennis G. H. Hetterscheid, Gregory F. Schneider
Summary: The presence of defects and chemical dopants in metal-free carbon materials significantly influences the electrocatalysis of the oxygen reduction reaction (ORR). Introduction of nitrogen and oxygen dopants, along with vacancy defects, in carbon electrodes can enhance the catalytic activity, with oxygenated defects playing a crucial role in improving the activity of nitrogen-doped graphene.
Article
Chemistry, Physical
Maximilian T. Sirtl, Rik Hooijer, Melina Armer, Firouzeh G. Ebadi, Mahdi Mohammadi, Clement Maheu, Andreas Weis, Bas T. van Gorkom, Sebastian Haeringer, Rene A. J. Janssen, Thomas Mayer, Vladimir Dyakonov, Wolfgang Tress, Thomas Bein
Summary: The efficiency of lead-free halide perovskite solar cells based on Cs2AgBiBr6 has been limited to less than 3% since 2017 due to factors such as low electron diffusion length and poor selectivity of the contacts. In this study, 2D/3D hybrid double perovskites using phenethyl ammonium were introduced for the first time, resulting in a 10% improvement in efficiency compared to the 3D reference. This improvement is mainly attributed to higher V-OC values and improved recombination behavior and selectivity at the interface.
ADVANCED ENERGY MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Lukas Schmidt-Mende, Vladimir Dyakonov, Selina Olthof, Feray uenlue, Khan Moritz Trong Le, Sanjay Mathur, Andrei D. Karabanov, Doru C. Lupascu, Laura M. Herz, Alexander Hinderhofer, Frank Schreiber, Alexey Chernikov, David A. Egger, Oleksandra Shargaieva, Caterina Cocchi, Eva Unger, Michael Saliba, Mahdi Malekshahi Byranvand, Martin Kroll, Frederik Nehm, Karl Leo, Alex Redinger, Julian Hoecker, Thomas Kirchartz, Jonathan Warby, Emilio Gutierrez-Partida, Dieter Neher, Martin Stolterfoht, Uli Wuerfel, Moritz Unmuessig, Jan Herterich, Clemens Baretzky, John Mohanraj, Mukundan Thelakkat, Clement Maheu, Wolfram Jaegermann, Thomas Mayer, Janek Rieger, Thomas Fauster, Daniel Niesner, Fengjiu Yang, Steve Albrecht, Thomas Riedl, Azhar Fakharuddin, Maria Vasilopoulou, Yana Vaynzof, Davide Moia, Joachim Maier, Marius Franckevicius, Vidmantas Gulbinas, Ross A. Kerner, Lianfeng Zhao, Barry P. Rand, Nadja Glueck, Thomas Bein, Fabio Matteocci, Luigi Angelo Castriotta, Aldo Di Carlo, Matthias Scheffler, Claudia Draxl
Summary: Metal halide perovskites are a new type of solution processed semiconductors that can compete with traditional semiconductors in functionality, especially in optoelectronic devices. Despite breakthroughs, challenges remain in terms of stability, reproducibility, and toxicity.
Article
Energy & Fuels
Jan Herterich, Clemens Baretzky, Moritz Unmuessig, Clement Maheu, Nico Glissmann, Jeremias Gutekunst, Georgios Loukeris, Thomas Mayer, Markus Kohlstaedt, Jan P. Hofmann, Uli Wuerfel
Summary: The use of phenetylammonium iodide (PEAI) as n-side passivation in p-i-n perovskite solar cells leads to a strong short-circuit current density (J(SC)) loss due to the inhomogeneity of the PEAI-based quasi-2D perovskite wide-bandgap interlayer. The reduction in internal quantum efficiency of PEAI-based devices is not caused by strong bulk doping or interface traps, but rather by limitations in charge extraction. A 2D drift-diffusion model with mobile ions and an inhomogeneous electron transport layer accurately reproduces the experimental behavior, highlighting the importance of suppressed non-radiative bulk recombination for efficient charge extraction and high open-circuit voltages in perovskite solar cells.
Article
Chemistry, Physical
Mohammad Amin Zare Pour, Oleksandr Romanyuk, Dominik C. Moritz, Agnieszka Paszuk, Clement Maheu, Sahar Shekarabi, Kai Daniel Hanke, David Ostheimer, Thomas Mayer, Jan P. Hofmann, Wolfram Jaegermann, Thomas Hannappel
Summary: In this study, we investigated the chemical composition and electronic properties of n-GaInP/n-AlInP heterostructures using X-ray photoelectron spectroscopy (XPS). We found surface core level shifts and upward surface band bending caused by localized mid-gap electronic states at the interface. These findings are crucial for reducing photocurrent losses in III-V multijunction solar cells.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
Andreas Weis, Patrick Ganswindt, Waldemar Kaiser, Hannah Illner, Clement Maheu, Nadja Gluck, Patrick Dorflinger, Melina Armer, Vladimir Dyakonov, Jan P. Hofmann, Edoardo Mosconi, Filippo De Angelis, Thomas Bein
Summary: Heteroatom alloying of lead-free perovskite derivatives is a promising approach to modify their optoelectronic properties and stability. In this study, Sn-alloyed MA3Sb2I9 thin films were synthesized using a facile solution-based method, and the mechanism behind the enhancement in optical properties and stability was investigated.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Yongchao Chen, Chuanmu Tian, Tianshu Jiang, Clement Maheu, Jan P. Hofmann, Leopoldo Molina-Luna, Ralf Riedel, Zhaoju Yu
Summary: In this study, a highly active oxygen evolution reaction (OER) electrocatalyst with a unique core-shell nanostructure was synthesized using a novel single-source-precursor method. The catalyst showed excellent catalytic performance due to the synergistic effect of metal alloy nanoparticles, nitrogen-doped carbon, and carbon nanotubes, as well as the protection provided by the core-shell structure.
Article
Chemistry, Multidisciplinary
Clement Maheu, Mohammad Amin Zare Pour, Iban Damestoy, David Ostheimer, Maximilian Mellin, Dominik C. Moritz, Agnieszka Paszuk, Wolfram Jaegermann, Thomas Mayer, Thomas Hannappel, Jan P. Hofmann
Summary: Interfaces in III-V semiconductor devices are usually buried and difficult to characterize. However, the Tapered Cross Section Photoelectron Spectroscopy (TCS-PES) approach provides a promising method to address this challenge. In this study, the TCS-PES was used to investigate the heterojunction in epitaxial III-V architectures prepared by metalorganic chemical vapor deposition. The results showed that the preparation of TCSs under an uncontrolled atmosphere led to the modification of the pristine properties of buried heterointerfaces.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Shizhe Wang, Dan Han, Clement Maheu, Zehua Xu, Alexander Biewald, Hannah Illner, Rik Hooijer, Thomas Mayer, Achim Hartschuh, Hubert Ebert, Thomas Bein
Summary: Explorations of new lead-free all-inorganic perovskite materials are of great interest in the field of perovskite solar cells to address the instability and toxicity issues of lead-based hybrid perovskites. Recently, copper-antimony-based double perovskite materials with ideal band gaps have been synthesized and show potential as absorbers for photovoltaic applications. This study presents the synthesis of Cs2CuSbCl6 double perovskite nanocrystals (DPNCs) using a modified ligand-assisted reprecipitation method, which can stabilize the metastable structure of Cs2CuSbCl6. By using an anion-exchange method, Cs2CuSbBr6 DPNCs with a narrow bandgap of 0.9 eV are obtained, and smooth and dense DPNC films are successfully fabricated.
Article
Chemistry, Multidisciplinary
Leo Bossard-Giannesini, Luis Cardenas, Herve Cruguel, Aude Demessence, David Loffreda, Olivier Pluchery
Summary: Self-assembled monolayers composed of various long-chain aliphatic molecules and different tail functional groups have been synthesized and characterized on the Au(111) surface. The study shows that the chain length and tail group of the aliphatic molecules have a significant impact on the electronic properties of the self-assembled monolayers.
Article
Chemistry, Physical
Luis Cardenas, Clement Molinet-Chinaglia, Stephane Loridant
Summary: This study conducted a sequential analysis using UPS and XPS on ceria nanopowders to investigate the influence of X-ray beam on the oxide's surface. It was found, for the first time, that XPS analysis had a photoreductive effect on ceria after an oxidative pretreatment, leading to an overestimation of the Ce3+/Ce4+ ratio obtained by XPS. This spectroscopy methodology, particularly UPS, emerged as a leading technique for powder analysis with minimal impact on the authentic chemical state, facilitating the identification of the actual Ce4+ and Ce3+ ratio of ceria after oxidative and reductive in situ treatments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(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)