Article
Chemistry, Physical
O. V. Lushchikova, M. Gatchell, J. Reichegger, S. Kollotzek, F. Zappa, M. Mahmoodi-Darian, P. Scheier
Summary: The structure of cationic and anionic Cu clusters grown in multiply charged superfluid He nanodroplets was investigated using He tagging as a chemical probe. The structure assignment was done based on the magic-numbered ions and verified by calculations. It was found that the structure of the clusters grown in the He droplets is similar to that produced with a laser ablation source and the lowest energy structures predicted by theoretical investigations. The only difference is the structure of the Cu-5(+), which in our experiments has a twisted-X geometry, rather than a bipyramid or planar half-wheel geometry.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Applied
T. Winzer, D. Steuer, S. Schuettler, N. Blosczyk, J. Benedikt, J. Golda
Summary: This paper reports on a new type of plasma jet, called the capillary-jet, which can operate stably at high input powers and extends the accessible parameter range. The study results show that the discharge of the capillary-jet is similar to the well-studied COST-Jet, and most of the power is dissipated into the heating of the plasma feed gas.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Physics, Multidisciplinary
Junwen Gao, Zhimin Hu, Yong Wu, Jianguo Wang, Nicolas Sisourat, Alain Dubois
Summary: In this study, ab initio calculations were performed for projectile and target excitation in He+ + He collisions using a nonperturbative approach, showing distinct features at specific energy regions.
MATTER AND RADIATION AT EXTREMES
(2021)
Article
Multidisciplinary Sciences
Anran Cheng, Barbara Sherwood Lollar, Jon G. Gluyas, Chris J. Ballentine
Summary: Helium, nitrogen and hydrogen are continuously generated in the deep continental crust, and nitrogen can reach sufficient concentrations at the base of sedimentary basins to form a gas phase, which also predicts the co-occurrence of hydrogen. This gas phase formation mechanism provides insights into assessing the resource potential of helium and hydrogen in intracontinental sedimentary basins worldwide.
Article
Materials Science, Multidisciplinary
ShuLong Wen, XingMing Zhang, HuiQiu Deng, Min Pan
Summary: This study investigates the stability of the W/Y2O3 interface, as well as the behavior of helium (He) near the interface, using first-principles calculations. The results show that the termination structures of the interface greatly affect its stability, with the OW-terminated interface being more stable than the YW-terminated interface under certain conditions. The study also demonstrates that the W/Y2O3 interface acts as a strong trap for capturing He from the W layer, but has difficulty capturing He from the YO layer. Additionally, the study explores the effect of strain on the dissolution of He in W and Y2O3, finding that strain caused by lattice matching is the primary factor influencing the solution of He near the interface. The findings provide theoretical support for understanding the phase interface effects on He behavior in Y2O3 dispersion-strengthened W.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Andreja Sestan, Lekshmi Sreekala, Sabina Markelj, Mitja Kelemen, Janez Zavasnik, Christian H. Liebscher, Gerhard Dehm, Tilmann Hickel, Miran Ceh, Sasa Novak, Petra Jenus
Summary: This study investigates the effect of helium implantation on the microstructure evolution of tungsten-tungsten carbide composites. It reveals the formation of monomodal helium bubbles in tungsten and larger helium bubbles at the tungsten-carbide interface. Density functional theory calculations suggest that helium migration and accumulation in the composite are influenced by the binding of helium atoms in clusters.
Article
Chemistry, Physical
Johannes Fischer, Alkwin Slenczka
Summary: Clusters consisting of a single phthalocyanine molecule and a single water molecule in superfluid helium droplets are studied using electronic spectroscopy. The clusters exhibit blue or red shifts induced by water, and their properties are analyzed through fluorescence excitation spectra, dispersed emission spectra, and additional experimental observations facilitated by helium droplets. At least 6 isomeric variants are identified in helium droplets, contrasting with only 3 variants obtained from quantum chemical calculations and a single variant identified in a molecular beam experiment. The differences in the number of isomers suggest the significant involvement of helium in clustering and the influence of cluster formation dynamics on the distribution of isomeric variants.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Siegfried Kollotzek, Olga Lushchikova, Lukas Tiefenthaler, Fabio Zappa, Paul Scheier
Summary: Researchers have proposed a novel method to breed size-selected clusters by adsorbing dopants into multiply charged helium nanodroplets. The experimental data is in agreement with the simulation results, providing a simple explanation for the emergence of size distributions that are narrower than Poisson.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Tobias Sixt, Taewon Chung, Frank Stienkemeier, Katrin Dulitz
Summary: In this study, the chemi-ionization of Li in the ground level 2(2)S(1/2) by He in a metastable state is investigated. It is found that the orbital of the valence electron of He plays a crucial role in the coupling strength of the collision complex to the ionization continuum. The results have implications for the improved understanding and control of chemi-ionization processes in merged beams and in traps.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
A. Godard Palluet, F. Thibault, F. Lique
Summary: This study provides a new potential energy surface (PES) of the CO2-He van der Waals complex calculated with the coupled-cluster method and a complete basis set extrapolation, aiming to provide accurate rotational rate coefficients. The accuracy of the PES was tested through calculations of bound state transition frequencies and pressure broadening coefficients, showing excellent agreement with experimental data. Revised collisional data for the 10-300 K temperature range were provided, with rate coefficients found to be up to 50% greater than previously computed ones, potentially impacting the modeling of CO2 abundance in astrophysical media.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
A. Godard Paluet, F. Thibault, F. Lique
Summary: The CO2-He van der Waals complex has been studied with a new potential energy surface (PES) calculated using the coupled-cluster method and a complete basis set extrapolation. The accuracy of the PES was tested through bound state transition frequencies and pressure broadening coefficients, showing excellent agreement with experimental data. Revised collisional data for the 10-300K temperature range were provided, with rate coefficients found to be up to 50% greater than previously computed ones.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Astronomy & Astrophysics
S. J. Bromley, M. Pindzola, D. Bodewits, M. R. Fogle
Summary: This study reports the velocity-dependent calculations of n l-resolved charge exchange cross sections using the time-dependent lattice method. It investigates the influence of these cross sections on emission line ratios and compares them to the analytical distributions commonly used. The results suggest a consensus among n and n l-resolved data for atomic H targets, while no consensus is found for atomic He targets.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
(2022)
Article
Optics
Ove Axner, Clayton Forssen, Isak Silander, Johan Zakrisson, Martin Zelan
Summary: Gas modulation refractometry (GAMOR) is a methodology that reduces susceptibility to disturbances by rapidly modulating gas, particularly effective in reducing drifts related to cavity lengths, gas leakages, and outgassing. It is insensitive to linear parts of certain drifts and significantly less susceptible to others, making it suitable for high-precision assessments and applications outside of the laboratory.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Shuai Chen, Zachary H. Aitken, Subrahmanyam Pattamatta, Zhaoxuan Wu, Zhi Gen Yu, Rajarshi Banerjee, David J. Srolovitz, Peter K. Liaw, Yong-Wei Zhang
Summary: Experimental observations on two high-entropy alloys (HEAs) show that differences in chemical-affinity disparity and exclusivity among constituent elements lead to different clustering behaviors. Strong atomic segregation and short-range ordering in HEAs are influenced by large chemical-affinity disparities and high chemical-element exclusivity in clusters of different energy levels.
Article
Materials Science, Multidisciplinary
Marti Pi, Francesco Ancilotto, Manuel Barranco, Samuel L. Butler, Jose Maria Escartin
Summary: Within density functional theory, the rotational behavior of self-sustained, deformable, rotating liquid He cylinders subject to planar deformations is investigated. The study compares the rotational behavior of normal, rotational fluid (He-3) and superfluid, irrotational fluid (He-4), providing insights into the different properties of helium liquids.
Article
Chemistry, Physical
Andreas W. Hauser, Johann Pototschnig
Summary: This article explores the occurrence of nonadiabatic coupling for certain translational degrees of freedom of diatomic, electronically degenerate molecules trapped in nearly spherical or cylindrical quantum confinement. The example of fullerene-encapsulated nitric oxide is used to illustrate this phenomenon and predict its perturbed vibronic spectrum.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Optics
Christoph Amtmann, Roland Lammegger, Alexander Betzler, Martin Agu, Michaela Ellmeier, Christian Hagen, Irmgard Jernej, Werner Magnes, Andreas Pollinger, Wolfgang E. Ernst
Summary: This paper discusses the frequency modulation and intensity modulation capabilities of direct laser current modulated identical vertical cavity surface emitting laser diodes. The authors conducted measurements of spectral amplitudes and used Bessel function fits to evaluate modulation parameters such as frequency modulation index and intensity modulation index. The study found significant variations in modulation capabilities among individual laser diodes, which highlights the need for experimental preselection in applications such as scalar magnetometers.
APPLIED PHYSICS B-LASERS AND OPTICS
(2023)
Editorial Material
Chemistry, Physical
Christine Aikens, Damien Alloyeau, Hakim Amara, Vincenzo Amendola, Catherine Amiens, Pascale Andreazza, Francesca Baletto, Stephan Barcikowski, Michael Bowker, Florent Calvo, Fuyi Chen, Emmanuel Cottancin, Wolfgang E. Ernst, Riccardo Farris, Riccardo Ferrando, Georg Daniel Forster, Alessandro Fortunelli, Alexis Front, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Miguel Jose Yacaman, Christian Kuttner, Eric Marceau, Marcelo M. Mariscal, Jette K. Mathiesen, John McGrady, Trang Nguyen, Pinkie Ntola, Cameron J. Owen, Charlie Paris, Micha Polak, Rasmus Svensson, Swathi Swaminathan, Mona Treguer-Delapierre, Jonathan Quinson, Yufei Zhang
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Damien Alloyeau, Vincenzo Amendola, Catherine Amiens, Pascal Andreazza, Joost M. Bakker, Francesca Baletto, Stephan Barcikowski, Noelia Barrabes, Michael Bowker, Fuyi Chen, Emmanuel Cottancin, Wolfgang E. Ernst, Riccardo Ferrando, Georg Daniel Forster, Alessandro Fortunelli, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Miguel Jose Yacaman, Christian Kuttner, Lebohang Macheli, Eric Marceau, Marcelo M. Mariscal, Jette K. Mathiesen, John McGrady, Christine Mottet, Diana Nelli, Pinkie Ntola, Cameron J. Owen, Micha Polak, Jonathan Quinson, Cesare Roncaglia, Leonid Rubinovich, Rolf Schafer, Manoj Settem, Jeff Shield, Mzamo Shozi, Swathi Swaminathan, Stefan Vajda, Hans-Christian Weissker
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Christine M. Aikens, Damien Alloyeau, Vincenzo Amendola, Catherine Amiens, Pascal Andreazza, Joost M. Bakker, Francesca Baletto, Stephan Barcikowski, Noelia Barrabes, Michael Bowker, Fuyi Chen, Isaac T. Daniel, Wolfgang E. Ernst, Riccardo Ferrando, Piero Ferrari, Alessandro Fortunelli, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Robert M. Jones, Miguel Jose Yacaman, Christian Kuttner, Maria J. Lopez, Eric Marceau, Marcelo M. Mariscal, John McGrady, Christine Mottet, Jaysen Nelayah, Cameron J. Owen, Micha Polak, Jonathan Quinson, Cesare Roncaglia, Rolf Schafer, Rasmus Svensson, Mona Treguer-Delapierre, Yufei Zhang
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Physical
Wolfgang E. Ernst, Maximilian Lasserus, Daniel Knez, Ferdinand Hofer, Andreas W. Hauser
Summary: Nanoparticles of gold and vanadium oxide were synthesized by doping cold helium droplets in a molecular beam apparatus, and characterized using various techniques. Janus particles of Au and V2O5 were identified after deposition, with V2O5 reducing to V2O3 at high temperatures and restructuring of gold atoms into a Wulff-shaped cluster layer. The temperature-dependent dynamic interplay between gold and vanadium oxide in structures of a few nanometers size was the central topic of this study.
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Multidisciplinary
Adrian Ruckhofer, Giorgio Benedek, Martin Bremholm, Wolfgang E. E. Ernst, Anton Tamtoegl
Summary: Experimental evidence for the existence of a charge-density wave (CDW) at the surface of a topological insulator is presented. The CDW is found to have the same period as a spin-density wave, indicating the presence of a strong electron-phonon interaction.
Article
Chemistry, Multidisciplinary
David Buceta, Shahana Huseyinova, Miguel Cuerva, Hector Lozano, Lisandro J. J. Giovanetti, Jose M. Ramallo-Lopez, Patricia Lopez-Caballero, Alexandre Zanchet, Alexander O. O. Mitrushchenkov, Andreas W. W. Hauser, Giampaolo Barone, Cristian Huck-Iriart, Carlos Escudero, Juan Carlos Hernandez-Garrido, Jose Juan Calvino, Miguel Lopez-Haro, Maria Pilar de Lara-Castells, Felix G. Requejo, M. Arturo Lopez-Quintela
Summary: This study investigates the thermal stability and oxidation susceptibility of sub-nanometer metal clusters. The experimental results show that Cu-5 clusters supported on a substrate can resist irreversible oxidation up to at least 773 K, even in the presence of 0.15 mbar of oxygen. Theoretical calculations based on dispersion-corrected density functional theory and first principles thermochemistry explain the transformation of adsorbed O-2 molecules into superoxo and peroxo species through collective charge transfer and large amplitude breathing motions within the network of Cu atoms. A chemical phase diagram for Cu oxidation states in the Cu-5-oxygen system is presented, revealing distinct chemistry compared to bulk and nano-structured Cu.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Johannes K. Krondorfer, Christian W. W. Binder, Andreas W. W. Hauser
Summary: In this article, a new algorithm is presented for the determination of molecular potential energy surfaces in gas transport phenomena. It is highly cost-effective and utilizes symmetry-enhanced Gaussian process regression with embedded gradient information and an active learning strategy.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Thomas Jauk, Harald Ditlbacher, Florian Lackner, Wolfgang E. Ernst, Andreas Hohenau, Joachim R. Krenn
Summary: In this study, we used photoemission electron microscopy (PEEM) to image surface plasmons on aluminum surfaces in the ultraviolet and blue spectral range. Plasmons were excited by illuminating straight aluminum ridges with subwavelength cross section on flat aluminum films. We observed interference patterns that revealed the propagation directions and decay lengths of the surface plasmons. Our results demonstrate the extension of PEEM imaging of surface plasmons into the ultraviolet region.
Article
Chemistry, Physical
Marija Aleskovic, Florian Kuestner, Roman Messner, Florian Lackner, Wolfgang E. Ernst, Marina Sekutor
Summary: Diamondoid molecules and their derivatives are versatile building blocks for advanced functional materials. In this study, the self-assembling behavior of diamondoid acids and alcohols in superfluid helium nanodroplets was investigated using mass spectrometry and computational methods. The results provide insights into the different modes of aggregation and cluster structures compared to less-polar diamondoid derivatives. The identified cluster sizes and structures highlight the unique self-organization process driven by hydrogen bonding interactions. The findings offer valuable information for the design of functional materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Adrian Ruckhofer, Marco Sacchi, Anthony Payne, Andrew P. Jardine, Wolfgang E. Ernst, Nadav Avidor, Anton Tamtoegl
Summary: Utilizing helium atom scattering, the research discovered and controlled the growth of novel 2D h-BN nanoporous phases during the CVD process, revealing the formation of a metastable structure prior to h-BN formation and the emergence of a (3 x 4) structure.
NANOSCALE HORIZONS
(2022)
Article
Chemistry, Physical
Christian W. Binder, Johannes K. Krondorfer, Andreas W. Hauser
Summary: Eyring theory provides a convenient approximation for calculating chemical reaction rates, but it may deviate significantly in cases of pronounced anharmonicity and low vibrational frequencies. Molecular dynamics simulations are costly and statistically less accessible for rare molecular reactions. This article introduces an alternative description based on statistical analysis of molecular trajectories near the 'ridge' for gas separation and storage problems using two-dimensional materials, allowing for more realistic predictions without the high costs of full molecular dynamics simulations.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
Article
Physics, Multidisciplinary
Roman Messner, Robert di Vora, Wolfgang E. Ernst, Florian Lackner
Summary: The photoabsorption spectra of neutral potassium clusters in helium nanodroplets are analyzed using depletion spectroscopy and a supercontinuum laser source. The results provide insights into the transition from molecular transitions to localized surface plasmon resonances in nanoscale clusters.
PHYSICAL REVIEW RESEARCH
(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)
