Article
Physics, Condensed Matter
Igor Antoniazzi, Natalia Zawadzka, Magdalena Grzeszczyk, Tomasz Wozniak, Jordi Ibanez, Zahir Muhammad, Weisheng Zhao, Maciej R. Molas, Adam Babinski
Summary: The temperature dependence of Raman scattering (RS) in bulk hafnium disulfide (HfS2) is investigated, revealing unexpected energy shifts of the main Raman-active modes at different temperatures, as well as the emergence of a new mode. The optical anisotropy of RS in HfS2 is highly dependent on the excitation energy, and the presence of iodine molecules intercalated in the van der Waals gaps between HfS2 layers is also analyzed for possible effects. The results are discussed in the context of resonant light-phonon interactions.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Materials Science, Multidisciplinary
Qilu Ye, Bin Yang, Jiqing Zhao, Gang Yang, Zhihua Gong, Li Zhang
Summary: By adding Mo, Nb, Hf, and C elements to form multiple carbides in the AlCoCrFeNi2.1 alloy, and utilizing the nano-scale phase formed during annealing to strengthen the alloy, the tensile strength of the alloy was successfully increased while maintaining ductility.
Article
Physics, Multidisciplinary
M. Grzeszczyk, J. Gawraczynski, T. Wozniak, J. Ibanez, Z. Muhammad, W. Zhao, M. R. Molas, A. Babinski
Summary: The effects of hydrostatic pressure on Raman scattering in bulk HfS2 were investigated. Two transformations of the Raman scattering spectra were observed under specific pressures, indicating a structural change in the material. The lineshape of the Raman spectra became more irregular with increasing pressure, resembling that of disordered materials. These changes were found to be irreversible during decompression.
ACTA PHYSICA POLONICA A
(2022)
Article
Materials Science, Multidisciplinary
Martin Matas, Michal Prochazka, Jaroslav Vlcek, Jiri Houska
Summary: The study investigates amorphous HfMSiBCN materials through ab initio calculations and magnetron sputtering, aiming to combine high-temperature stability and oxidation resistance with optimized mechanical, optical, and electrical properties. The results show that the properties of HfMSiBCN materials are influenced by the choice and fraction of M, with advantages in high electrical conductivity and hardness for potential applications in high-temperature coating design.
Article
Chemistry, Physical
Pedro H. M. Andrade, Myriam Moreau, Natacha Henry, Mohamed T. Bakouche, Sylvain Duval, Christophe Volkringer, Thierry Loiseau, Matthieu Hureau, Alain Moissette
Summary: The UiO family of metal-organic framework (MOF) materials is considered as one of the best choices for capturing gaseous iodine in nuclear power energy due to its properties like high specific surface areas, great iodine adsorption capacity, and good stability under nuclear accidents conditions. In this study, three UiO-67_NH2 samples with different metal contents were used to capture iodine, and Raman spectroscopy mappings were used to evaluate the different species. The results showed that UiO-67_NH2(Hf) compound had the best adsorption capacity, capturing 3428 g center dot mol(-1) of iodine, while UiO-67_NH2(Zr/Hf) and UiO-67_NH2(Zr) samples adsorbed 2835 g center dot mol(-1) and 1658 g center dot mol(-1) respectively. The spatial distribution of I-2 and I-3(-) along the crystals of UiO67_NH2 materials was correlated with the diffusion process of both species, improving the understanding of the mechanism responsible for iodine conversion and stabilization in UiO materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Younian Tang, Fan Wu, Huiying Chen, Jia-Lu Chai, Xu-Dong Chen, Bin Xi
Summary: Atomic layer deposition (ALD) relies on precursor design and synthesis for fabricating thin film materials. A synthetic route has been developed to introduce (trimethylsilyl)methyl ligand into the coordination sphere of mo-lybdenum, leading to the synthesis of an unprecedented compound. The synthesis method provides an easier way to synthesize a recently patented analogous compound and offers a useful method for the introduction of the ligand toward potential ALD precursors. The thermal stability and volatility of the two potential ALD precursors were also evaluated.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Review
Materials Science, Multidisciplinary
Shuo Li, Jinyan Xiong, Xueteng Zhu, Weijie Li, Rong Chen, Gang Cheng
Summary: Photocatalytic water splitting is a promising strategy for producing hydrogen using abundant solar energy and semiconductor photocatalysts. However, challenges in achieving efficient solar-to-hydrogen evolution process have led to the exploration of combining different co-catalysts. Recent research on 1T phase MS2 (M = W, Mo) co-catalysts has shown promising progress in enhancing light absorption and charge carrier-separation efficiency, offering opportunities for further exploration in addressing energy and environmental challenges.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Milosz Rybak, Tomasz Wozniak, Magdalena Birowska, Filip Dybala, Alfredo Segura, Konrad J. Kapcia, Pawel Scharoch, Robert Kudrawiec
Summary: Optical measurements under externally applied stresses were used to study the stress-induced changes in electronic structure of MX2 compounds. The results showed that the studied materials are semiconducting and the transitions between bands are optically active. The energy trends under external stresses were quantified and compared with experimental results. This research provides a basis for future measurements.
Article
Nanoscience & Nanotechnology
Genglin Li, Wenhui Du, Shuo Sun, Qingming Lu, Zhixiang Chen, Hongliang Liu, Yandong Ma, Xiaoli Sun, Yuechen Jia, Feng Chen
Summary: In this work, three different kinds of 2D TMDC nanosheets were prepared by liquid phase exfoliation technique, and their high-quality material properties were confirmed by Raman spectroscopy and X-ray diffraction analysis. The bandgap information of MSe2 was investigated via density functional theory, showing its potential for broadband photonic applications. By utilizing MSe2 as saturable absorbers, high-performance Q-switched mode-locked laser operation was achieved.
Article
Chemistry, Physical
Chen Shen, Lei Wang, Donghai Wei, Yixuan Zhang, Guangzhao Qin, Xing-Qiu Chen, Hongbin Zhang
Summary: This study investigated the thermal conductivity of novel 2D layered MSi2N4 (M = Mo, W) using first-principles calculations, revealing that monolayer MoSi2N4 has a competitive thermal conductivity. The high thermal conductivity is mainly attributed to its large group velocity and low anharmonicity, making MoSi2N4 a potential candidate for 2D thermal management materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Energy & Fuels
Ya Song, Jiabao Bai, Shenqin Jiang, Huawei Yang, Lixia Yang, Donglei Wei, Liangjiu Bai, Wenxiang Wang, Ying Liang, Hou Chen
Summary: In this study, CoFeMo mixed metal oxides (MMOs) were successfully synthesized as a robust and durable catalyst for aerobic oxidative desulfurization (AODS) of fuel. The catalytic performance can be regulated by altering the intercalation content of MoO42-, and the optimal catalyst efficiently converts various thiophenic compounds into sulfones at 100 degrees C, showing excellent reusability. This research provides a feasible method to synthesize highly efficient MMO catalysts for AODS of fuels.
Article
Crystallography
Tahani A. Alrebdi, Mohammed Benali Kanoun, Souraya Goumri-Said
Summary: The nanolaminate compounds Ti2PbC, Zr2PbC, and Hf2PbC exhibit stability in formation energy, elastic modulus, and phonons. They show high hardness and unique mechanical properties. Electronic and bonding properties are investigated through electronic band structure, density of states, and charge densities calculations.
Article
Chemistry, Physical
Mrinal Kanti Adak, Anubha Rajput, Dibyajyoti Ghosh, Biswarup Chakraborty
Summary: The activity of transition-metal-based pre-catalysts in alkaline oxygen evolution reaction can be improved by controlling their electronic structure, as demonstrated in this study. Two bimetallic FeIIMVIO4 electrocatalysts, FeMoO4 and FeWO4, were investigated, and it was found that FeMoO4 exhibited better activity due to the facile evolution of electroactive species. The study also revealed that FeMoO4 undergoes hydrolytic dissolution to form α-FeO(OH) as the electroactive species, while FeWO4 remains relatively stable.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Crystallography
Vadla Veenachary, Eskilla Venkata Ramana, Simhachalam Narendra Babu, Venkata Sreenivas Puli, Adiraj Srinivas, Gopalan Srinivasan, Sujoy Saha, Guduru Prasad, Nandiraju Venkata Prasad
Summary: In this study, intergrowth of multiferroic compounds Bi4RTi3Fe0.7Co0.3O15-Bi3RTi2Fe0.7Co0.3O12-delta (BRTFCO15-BRTFCO12) (rare earth (R) = Dy, Sm, La) were prepared using solid-state reaction method. The X-ray diffraction Rietveld refinement revealed orthorhombic structure with three-layered and four-layered compounds. Magnetic measurements showed that the Sm-modified intergrowth compound had a larger magnetization compared to Dy- and La-doped ones. The higher magnetization can be attributed to distortion in the unit cell, bonding of Fe3+-O-Co3+, and possible mixture of FexCoy-type nanoparticles formed during synthesis of intergrowths. The results demonstrate that the RE-modified intergrowth method is an effective approach for preparing higher-layer Aurivillius multiferroic ceramics.
Article
Chemistry, Physical
Tarek Ali ElMelegy, Maxim Sokol, Michel W. Barsoum
Summary: By using intermetallic precursors and specific ratios, the synthesis yield of i-MAX phases can be enhanced while reducing the formation of impurity phases.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Adam K. Budniak, Szymon J. Zelewski, Magdalena Birowska, Tomasz Wozniak, Tatyana Bendikov, Yaron Kauffmann, Yaron Amouyal, Robert Kudrawiec, Efrat Lifshitz
Summary: Lamellar structures of transition metal phosphorus trisulfides have strong intralayer bonding and weak van der Waals interactions, leading to unique optical and long-range magnetic properties. This study successfully grew large FePS3 crystals and identified their crystallographic structure and composition using advanced electron microscopy techniques. Temperature-dependent experiments revealed the correlation between optical behavior and magnetic phase transition.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Giovanni Vescio, Juan Luis Frieiro, Andres F. Gualdron-Reyes, Sergi Hernandez, Ivan Mora-Sero, Blas Garrido, Albert Cirera
Summary: Metal halide perovskites (MHPs) with outstanding optical emissive properties can be fabricated by solution processing methods and inkjet printing. The printed layers exhibit high emissive efficiency and stability, making them promising for large-scale production of flexible LEDs.
ADVANCED MATERIALS TECHNOLOGIES
(2022)
Article
Nanoscience & Nanotechnology
Robert Oliva, Tomasz Wozniak, Paulo E. Faria, Filip Dybala, Jan Kopaczek, Jaroslav Fabian, Robert Kudrawiec
Summary: In this work, the effects of strain and dielectric environment on the electronic band structure and optical properties of few-layered transition-metal dichalcogenide are thoroughly investigated using first-principles calculations and high-pressure optical measurements. The results reveal that WS2 remains fully adhered to the substrate under in-plane compressive strain up to -0.6%. A useful model to describe the effect of strain on the optical gap energy is provided.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Editorial Material
Chemistry, Physical
Giovanni Vescio, Jesus Sanchez-Diaz, Juan Luis Frieiro, Rafael S. Sanchez, Sergi Hernandez, Albert Cirera, Ivan Mora-Sero, Blas Garrido
Summary: Lead-free PEA(2)SnI(4)-based perovskite LEDs were successfully inkjet-printed on rigid and flexible substrates. Under ambient conditions, red-emitting devices exhibited a high external quantum efficiency and brightness.
ACS ENERGY LETTERS
(2022)
Article
Physics, Applied
N. Zawadzka, T. Wozniak, M. Strawski, I. Antoniazzi, M. Grzeszczyk, K. Olkowska-Pucko, Z. Muhammad, J. Ibanez, W. Zhao, J. Jadczak, R. Stepniewski, A. Babinski, M. R. Molas
Summary: Photoluminescence from bulk HfS2 grown by the chemical vapor transport method is studied. A series of emission lines are observed at low temperature in the energy range of 1.4-1.5 eV. Intensity correlation analysis distinguishes two groups of observed excitonic transitions and their replicas involving acoustic and optical phonons. The emission is attributed to the recombination of excitons bound to iodine (I-2) molecules intercalated between layers of HfS2. The presence of I-2 molecules in the crystal is confirmed by secondary ion mass spectroscopy.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Josu Sanchez-Martin, Daniel Errandonea, Houri Sadat Rahimi Mosafer, Wojciech Paszkowicz, Roman Minikayev, Robin Turnbull, Marek Berkowski, Jordi Ibanez-Insa, Catalin Popescu, Andrew Fitch, Placida Rodriguez-Hernandez, Alfonso Munoz
Summary: We conducted a comprehensive experimental study on the crystal structure of calcium vanadate (Ca3V2O8) under different temperature and pressure conditions. Our results revealed a pressure-induced structural phase transition in Ca3V2O8 and confirmed the persistence of the trigonal structure at high temperatures. The experimental data were also supported by density-functional theory calculations.
Article
Materials Science, Multidisciplinary
Robin Turnbull, Javier Gonzalez-Platas, Akun Liang, Dequan Jiang, Yonggang Wang, Catalin Popescu, Placida Rodriguez-Hernandez, Alfonso Munoz, Jordi Ibanez, Daniel Errandonea
Summary: We conducted an experimental and theoretical high-pressure study on Na3Bi(IO3)6 and found a first-order pressure-induced phase transition at around 9.5 GPa. This phase transition resulted in a doubling of the primitive cell volume and a decrease in the volume per formula unit. The transition also led to a decrease in the indirect electronic bandgap and revealed highly anisotropic compressibility of the ambient pressure phase.
RESULTS IN PHYSICS
(2023)
Article
Physics, Condensed Matter
Igor Antoniazzi, Natalia Zawadzka, Magdalena Grzeszczyk, Tomasz Wozniak, Jordi Ibanez, Zahir Muhammad, Weisheng Zhao, Maciej R. Molas, Adam Babinski
Summary: The temperature dependence of Raman scattering (RS) in bulk hafnium disulfide (HfS2) is investigated, revealing unexpected energy shifts of the main Raman-active modes at different temperatures, as well as the emergence of a new mode. The optical anisotropy of RS in HfS2 is highly dependent on the excitation energy, and the presence of iodine molecules intercalated in the van der Waals gaps between HfS2 layers is also analyzed for possible effects. The results are discussed in the context of resonant light-phonon interactions.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Tomasz Wozniak, Paulo E. Umm-e-hani, Paulo Faria S. Junior, Muhammad B. Ramzan, Agnieszka Kuc
Summary: MA(2)Z(4) monolayers represent a new class of hexagonal non-centrosymmetric materials with unique spin-valley physics. The study investigates the chemical trends of band gaps and spin-orbit splittings in selected MSi(2)Z(4) compounds, and predicts high exciton binding energies using effective Bethe-Salpeter-equation-based calculations. The research also shows the potential of MSi(2)Z(4) monolayers as a platform to study excitons and their application in optoelectronic devices, including heterostructures. Additionally, a spin-orbit induced band inversion is observed in the heaviest compound WSi2Sb4, indicating its topological nature.
Article
Chemistry, Multidisciplinary
Sergio Gonzalez, Giovanni Vescio, Juan Luis Frieiro, Alina Hauser, Flavio Linardi, Julian Lopez-Vidrier, Marek Oszajca, Sergi Hernandez, Albert Cirera, Blas Garrido
Summary: In this work, high-quality and low-temperature (below 200 degrees C) metal oxide inks are prepared using inkjet printing technology. The inks are adapted from low-boiling point colloidal suspensions of metal oxide nanoparticles synthesized via flame spray pyrolysis. The resulting inkjet-printed layers exhibit excellent transparency and crystallinity, and the inkjet-printed p-n diode shows efficient rectifying behavior and significant increase in photocurrent under illumination.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Geochemistry & Geophysics
David Santamaria-Perez, Raquel Chulia-Jordan, Alberto Otero-de-la-Roza, Robert Oliva, Catalin Popescu
Summary: We conducted high-pressure experiments and calculations to study the structure and compressibility of the aurichalcite mineral. We found a phase transition at 3 GPa and determined the bulk modulus of the initial aurichalcite structure. Our results showed that aurichalcite is more compressible than other copper and zinc carbonates due to its layered structure and the presence of directed hydrogen bonds. In addition, our density-functional theory calculations revealed the energetically stability of the aurichalcite structure compared to hydrozincite for different Zn:Cu ratios.
Article
Materials Science, Multidisciplinary
Lucja Kipczak, Artur O. Slobodeniuk, Tomasz Wozniak, Mukul Bhatnagar, Natalia Zawadzka, Katarzyna Olkowska-Pucko, Magdalena Grzeszczyk, Kenji Watanabe, Takashi Taniguchi, Adam Babinski, Maciej R. Molas
Summary: Excitons in thin layers of semiconducting transition metal dichalcogenides are highly affected by the modified electron-hole interaction, leading to deviations from the two-dimensional hydrogen atom model. In this study, we experimentally and theoretically investigate excitonic properties in ML and BL MoSe2 encapsulated in hexagonal BN. The magnetic field evolutions of the reflectance contrast spectra were measured, allowing the determination of g-factors for intralayer and interlayer excitons. First principles calculations were used to explain the dependence of g-factors on the number of layers and excitation state. Additionally, the ladder of excitonic s states in the ML could be reproduced using the k.p 2 BL.
Article
Materials Science, Multidisciplinary
Robert Oliva, Esther Ritov, Faris Horani, Inigo Etxebarria, Adam K. Budniak, Yaron Amouyal, Efrat Lifshitz, Mael Guennou
Summary: Alloyed MnxZn1-xPS3 samples were grown and studied using Raman spectroscopy and magnetic measurements. The results showed that the alloy retains antiferromagnetism at x = 0.3 and identified the Raman signatures of a magnetic transition. Spin-phonon coupling and lattice-dynamical calculations were used to explain these signatures. Comparisons with other compounds confirmed the occurrence of a second-order Jahn-Teller effect in ZnPS3 and Zn-rich MnxZn1-xPS3.
Article
Materials Science, Multidisciplinary
Constance Toulouse, Danila Amoroso, Robert Oliva, Cong Xin, Pierre Bouvier, Pierre Fertey, Philippe Veber, Mario Maglione, Philippe Ghosez, Jens Kreisel, Mael Guennou
Summary: In this paper, the high pressure behavior of BaZrO3 is reexamined using first-principle calculations, Raman spectroscopy and x-ray diffraction. The cubic-to-tetragonal transition at 10 GPa is experimentally confirmed, while no evidence for other phase transitions is found up to 45 GPa, contradicting past reports. Density functional theory calculations show that the tetragonal phase becomes more stable with increasing pressure compared to phases with more complex tilt systems, ruling out the possibility of a second transition to another tilted phase at higher pressures, particularly the common orthorhombic Pnma structure.
