Article
Chemistry, Multidisciplinary
Maria Ekimova, Carlo Kleine, Jan Ludwig, Miguel Ochmann, Thomas E. G. Agrenius, Eve Kozari, Dina Pines, Ehud Pines, Nils Huse, Philippe Wernet, Michael Odelius, Erik T. J. Nibbering
Summary: The electronic structure of hydrated proton complexes is revealed in this study using accurate x-ray spectroscopic measurements, infrared spectral analysis, and calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Charles A. Bolzan, Bernt Johannessen, Zhibin Wu, Raquel Giulian
Summary: In(1-x)Al(x)Sb films were deposited on amorphous SiO2 with different In/Al concentration ratios, and their atomic structure was analyzed using EXAFS and GIXRD techniques. The study revealed that under strain, alloying effects primarily affect the first nearest-neighbor shell distances, while strain effects are more pronounced in higher coordination shells.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Chemistry, Applied
Dong-Ho Kang, Yong-Jun Park, Yun-Sung Jeon, Nam-Gyu Park
Summary: In this study, EXAFS was used to investigate the local structural changes of FAPbI(3) and found that perovskite films prepared from precursor solution with excess PbI2 showed better stability compared to those from excess FAI, despite similar power conversion efficiency. Excess FAI resulted in a rapid phase transition and poor device stability, as confirmed by the increased (Pb-I) bond distance evaluated by the Pb L-III-edge EXAFS study. This work provides important insights into the local structure-stability relation in FAPbI(3)-based PSCs.
JOURNAL OF ENERGY CHEMISTRY
(2022)
Article
Physics, Condensed Matter
Kouki Takahashi, Hidetoshi Miyazaki, Koji Kimura, Osman Murat Ozkendir, Yoichi Nishino, Kouichi Hayashi
Summary: The local structure around doping Ta atoms in Fe2V1-xTaxAl alloys was investigated using XAFS and SR-XRD measurements. It was found that the doped Ta atoms caused local strain in the alloy. The reduction in thermal conductivity in Fe2V1-xTaxAl alloys due to Ta doping was attributed to the increased average atomic mass with the heavy element Ta and the existence of local strain.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2022)
Article
Chemistry, Physical
Jeff Terry, Miu Lun Lau, Jiateng Sun, Chang Xu, Bryan Hendricks, Julia Kise, Mrinalini Lnu, Sanchayni Bagade, Shail Shah, Priyanka Makhijani, Adithya Karantha, Travis Boltz, Max Oellien, Matthew Adas, Shlomo Argamon, Min Long, Donna Post Guillen
Summary: We have developed an artificial intelligence based methodology to address the issue of improper and unreliable analysis of materials characterization data. Through the use of genetic algorithms and a machine learning system, we efficiently find sets of structural parameters in EXAFS spectroscopy measurements, helping to identify chemical compounds present in samples.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Alfredo Romero-Contreras, Juan S. Lezama Pacheco, Joaquin Alvarado, Umapada Pal, Julio Villanueva-Cab
Summary: The study reveals that a more relaxed lattice and less static disorder are the characteristics of optimized aqueous DSSCs. The decrease in intragap states leads to a downward shift of the quasi-Fermi level, amplifying the short-circuit photocurrent.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Ranita Basu, Chandrani Nayak, Ravi Kumar, Dibyendu Bhattacharyya, Sambhu Nath Jha, Ajay Singh
Summary: This article investigates the disorder and anharmonicity features of Si-Ge alloy and their effect on thermal conduction. The difference in anharmonic pair potential induced by transition metals (Ni and Cr) doping is revealed using synchrotron-based X-ray absorption fine structure spectroscopy. The determination of the Gru''neisen parameter of individual bonds in the alloy and the understanding of electron-induced bond anharmonicities and bonding heterogeneity are demonstrated. This research is important for designing high-throughput thermoelectric alloys with ultralow lattice thermal conductivity and for understanding the anharmonicity of bonds.
ACS APPLIED ENERGY MATERIALS
(2023)
Review
Chemistry, Physical
J. Pellicer-Porres, A. Segura, Ch Ferrer-Roca, J. Gonzalez, V Munoz-Sanjose
Summary: In this work, the local structure of layered Ga1-xInxSe alloys was studied using X-ray Absorption and Raman spectroscopy. The presence of Ga - In bonds in the alloys was demonstrated, with similar cation-anion bond lengths to those of pure compounds and no significant increase in static disorder. The Raman spectra showed similar features to pure compounds, but with continuous peak shifting as impurity cations were introduced.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Nanoscience & Nanotechnology
Zhi-Zhong Zhang, Jun-Hua Wei, Jian-Bin Luo, Xu-Dong Wang, Zi-Lin He, Dai-Bin Kuang
Summary: A single crystal scintillator, TEA2MnI4, with high transmittance and light yield has been successfully prepared using a local-heating solvent evaporation method. It shows potential for high-resolution X-ray imaging.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Jian Ren, Lihua Lin, Klaus Lieutenant, Christian Schulz, Deniz Wong, Thorren Gimm, Annika Bande, Xinchen Wang, Tristan Petit
Summary: Polymeric carbon nitride (PCN) is a promising material for solar-to-chemical energy conversion, and its photocatalytic activity can be enhanced by incorporating heteroatoms like sulfur and iron. This study used X-ray absorption spectroscopy and resonant inelastic X-ray scattering to show that sulfur mainly impacts carbon atoms while iron mainly alters nitrogen sites in PCN. The research also revealed a vibrational progression at the nitrogen K-edge, influenced by iron doping, indicating a vibronic coupling between excited electrons and C-N stretching modes in PCN heterocycling rings.
Article
Chemistry, Physical
Makoto Harada, Hinako Sakai, Yu Fukunaga, Tetsuo Okada
Summary: This study focuses on the local structures of Br- in hexadecyltrimethylammonium bromide (HTAB) reverse micelles formed in chloroform and 10% hexanol/heptane, investigating the dependence of Br- hydration on the molar ratio of water to HTAB. The maximum hydration number of Br- is found to be 4.5 at higher molar ratios, suggesting the presence of both partly hydrated ions and completely hydrated ions at the reverse micelle interface.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Minoru Maeda, Jun Hyuk Choi, Jonathan C. Knott, Jung Ho Kim, Garam Hahn, Hyoungku Kang, Seungyong Hahn, Seyong Choi
Summary: Layered crystal structures form anisotropies in electronic, magnetic, and structural properties. Understanding the disorder anisotropy is crucial for enhancing material properties. The disorder anisotropy and its influence on in-field superconductivity in multi-band MgB2 materials are investigated. The results show that selective modification of the disordered structure, especially regarding in-plane size properties, is a practical approach for enhancing transport performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Xuchun Wang, Mingyu Chu, Mengwen Wang, Qixuan Zhong, Jiatang Chen, Zhiqiang Wang, Muhan Cao, Hao Yang, Tao Cheng, Jinxing Chen, Tsun-Kong Sham, Qiao Zhang
Summary: By modulating the surface alloy structure of PdBi, the electronic structure of Pd can be continuously adjusted, leading to enhanced catalytic performance in the selective hydrogenation of propyne.
Article
Physics, Multidisciplinary
T. P. H. Sidiropoulos, N. Di Palo, D. E. Rivas, S. Severino, M. Reduzzi, B. Nandy, B. Bauerhenne, S. Krylow, T. Vasileiadis, T. Danz, P. Elliott, S. Sharma, K. Dewhurst, C. Ropers, Y. Joly, K. M. E. Garcia, M. Wolf, R. Ernstorfer, J. Biegert
Summary: The detection of energy conversion pathways between photons, charge carriers, and the lattice is crucial for understanding fundamental physics and advancing materials and devices. Attosecond core-level x-ray absorption fine-structure spectroscopy (XANES) provides a clear and simultaneous view of the temporal evolution of the photon-carrier-phonon system, revealing surprising new results. By applying this method to graphite, complex mechanisms involving electrons, holes, and optical phonons were elucidated, showcasing the utility of core-level XANES with attosecond temporal resolution for studying energy flow inside materials.
Article
Chemistry, Multidisciplinary
Zhao Li, Zhiguo Ren, Yuanxin Zhao, Shuaijin Wu, Yingying Yao, Xiaochuan Ren, Daming Zhu, Xiaolong Li, Jianxin Zou
Summary: This study attempted to synthesize a spinel manganese-cobalt oxide using a hydrothermal method, but the inconsistent atomic ratio and presence of two phases in the synthesized sample resulted in failure.
Article
Nanoscience & Nanotechnology
Arkaprava Das, C. Balasubramanian, Prachi Orpe, Gian Marco Pugliese, Alessandro Puri, Augusto Marcelli, Naurang L. Saini
Summary: Large quantity of various types of cobalt oxide nanoparticles can be synthesized using high temperature arc plasma method under different arc currents and gas environments. The phase fraction, shape, size distribution, and magnetic properties of the synthesized nanoparticles are determined by the arc current and selected gas. X-ray diffraction and absorption spectroscopy confirm the formation of multicomponent phase nanoparticles. Metallic nanoparticles are observed in helium environment at high arc current, while particle-particle interaction leads to larger particle size and lower coercivity in air ambient.
Article
Materials Science, Multidisciplinary
Anupam K. Singh, Parul Devi, Ajit K. Jena, Ujjawal Modanwal, Seung-Cheol Lee, Satadeep Bhattacharjee, Boby Joseph, Sanjay Singh
Summary: Isostructural phase transition is observed in the biskyrmion host MnNiGa under pressure, accompanied by anisotropic compression behavior. The crystal structure changes with pressure while maintaining hexagonal symmetry.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Multidisciplinary Sciences
Marta Morana, Rossella Chiara, Boby Joseph, Thomas B. Shiell, Timothy A. Strobel, Mauro Coduri, Gianluca Accorsi, Ausonio Tuissi, Angelica Simbula, Federico Pitzalis, Andrea Mura, Giovanni Bongiovanni, Lorenzo Malavasi
Summary: This study investigates the manipulation of the optical response of 2D Metal Halide Perovskites (MHPs) under external pressure. The results reveal that the optical properties are influenced by the presence of different central atoms.
Article
Geochemistry & Geophysics
Sula Milani, Patrizia Fumagalli, Luca Ziberna, Juliette Maurice, Paolo Lotti, Davide Comboni, Francesco Pagliaro, Michael Hanfland, Giorgio Bais, Boby Joseph, Marco Merlini
Summary: In this study, we synthesized and characterized a single crystal of Mg-sursassite, and investigated its structural and thermoelastic properties under high-pressure and high-temperature conditions. The results showed that Mg-sursassite shares similar density and bulk properties with other anhydrous mantle minerals, suggesting that it may be overlooked by geophysical methods.
AMERICAN MINERALOGIST
(2022)
Article
Chemistry, Physical
Frederico Alabarse, Benoit Baptiste, Boby Joseph, Julien Haines
Summary: The strong negative thermal expansion of porous aluminophosphate material with a hexagonal erionite structure was effectively adjusted by inserting oxygen molecules under high pressure. This highly anisotropic thermal expansion property is of great interest for mechanical and optical applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Sushmita Chandra, Janaky Sunil, Prabir Dutta, Koushik Pal, Manisha Samanta, Boby Joseph, Chandrabhas Narayana, Kanishka Biswas
Summary: BiSe, a member of homologous family (Bi2)m (Bi2Se3)n, has gained attention in thermoelectric research due to its ultralow lattice thermal conductivity and promising n-type thermoelectric performance. We have studied the pressure-induced electronic topological transition in BiSe through experimental and theoretical methods, observing clear anomalies in lattice parameters, cell volume, Raman mode shift, and line width data under pressure.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Priyanka Jain, Gayatri Kumari, Meha Bhogra, Premakumar Yanda, Boby Joseph, Umesh V. Waghmare, Chandrabhas Narayana
Summary: It is found that ZIF-4 undergoes an open to narrow pore transition under vacuum conditions at temperatures below 253K, which is facilitated by C-H...π interactions. The adsorption behavior of N2 and CO2 on ZIF-4 leads to characteristic Raman spectral changes at 293K and 1 atm. The preferred adsorption sites on ZIF-4 are determined to be C-Hs, and low temperature adsorption of N2 leads to shear distortion and volumetric expansion of the ZIF-4 structure.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Muthukumaran Sundaramoorthy, Boby Joseph, Govindaraj Lingannan, Pradip Kumar Mondal, Chia Nung Kuo, Chin Shan Lue, Sonachalam Arumugam
Summary: In this study, the transport properties of Sr3Rh4Sn13, Ca3Rh4Sn13, and La3Rh4Sn13 quasi-skutterudites were investigated. The Sr3Rh4Sn13 system showed a pronounced anomaly in electrical resistivity at T* approximately 136 K, while no such anomaly was observed in the other two systems. Structural investigations revealed that all three systems have a cubic structure, with La3Rh4Sn13 showing additional weak reflections. High-pressure measurements on the Sr3Rh4Sn13 system showed a linear decrease of the T* anomaly with pressure and a linear increase of superconducting Tc. The results provide interesting insights into the pressure effects on the quasi-skutterudite X3Rh4Sn13 system.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2023)
Article
Chemistry, Physical
Frederico G. G. Alabarse, Benoit Baptiste, Yoann Guarnelli, Boby Joseph, Julien Haines
Summary: The behavior of porous aluminophosphate AlPO(4)-17 with a hexagonal ionite structure was studied under high pressure using single-crystal and powder X-ray diffraction. In the presence of nitrogen, oxygen, and argon as pressure transmitting media, the guest species were found to enter the pores of AlPO(4)-17, thereby modifying its properties. The collapse and amorphization of AlPO(4)-17 under pressure were suppressed, and the compressibility was reduced due to the insertion of guest molecules. A phase transition to a new hexagonal structure with cell doubling along the a direction was also observed at pressures above 4.4 GPa in the presence of oxygen.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Condensed Matter
Rajkumar Sokkalingam, Govindaraj Lingannan, Muthukumaran Sundaramoorthy, C. S. Lue, C. N. Kuo, Boby Joseph, Sonachalam Arumugam
Summary: In this study, we report the electrical resistivity and x-ray diffraction characteristics of the ternary Sm2Ru3Ge5 compound, which has an orthorhombic U2Co3Si5-type structure. Our measurements revealed three anomalies in the electrical resistivity, namely at 239.3 K, 27.8 K, and 7 K. The first anomaly corresponds to a charge density wave (CDW) transition, while the last one is associated with an antiferromagnetic (AFM) transition. Additionally, our synchrotron powder diffraction data showed that the system maintains orthorhombic symmetry in the temperature range of 390 to 160 K, but a clear discontinuity in lattice parameters was observed below approximately 233 K, suggesting a close connection between the CDW transition and structural modulation in this system.
SOLID STATE COMMUNICATIONS
(2023)
Article
Physics, Condensed Matter
Ruben Albertini, Salvatore Macis, Andrei A. Ivanov, Alexey P. Menushenkov, Alessandro Puri, Virginia Monteseguro, Boby Joseph, Wei Xu, Augusto Marcelli, Paula Giraldo-Gallo, Ian Randal Fisher, Antonio Bianconi, Gaetano Campi
Summary: In this study, the spatial micro-fluctuations in BaPO units in Ba(Pb-1 Bi-x(x))O-3 crystals were measured using scanning dispersive micro-X-ray absorption near edge structure technique. The results showed substantial differences between the microstrain epsilon and the chemical inhomogeneity x, and different relationships epsilon(x) were observed in samples with different doping levels.
Article
Materials Science, Multidisciplinary
V. Rajaji, Raagya Arora, B. Joseph, Subhajit Roychowdhury, Umesh V. Waghmare, Kanishka Biswas, Chandrabhas Narayana
Summary: We conducted in situ high-pressure studies on the topological insulator TlBiSe2 using Raman scattering, synchrotron x-ray-diffraction experiments, and theoretical calculations. Under hydrostatic pressure, the frequencies of the phonon modes of TlBiSe2's rhombohedral phase systematically increased up to about 7.0 GPa. Anomalies in the linewidths of certain phonon modes at around 2.5 GPa indicated an isostructural electronic transition, attributed to changes in electron-phonon coupling. The observed phonon anomalies and changes in the mirror Chern number confirmed the pressure-induced topological crystalline insulator phase in TlBiSe2 at around 2.5 GPa. Additionally, a reversible structural phase transition was observed above approximately 7.0 GPa. The study suggests the use of hydrostatic pressure as a potential pathway for exploring the topological crystalline insulating phase in TlBiX2 (X = S, Se, Te) compounds with strong spin-orbit coupling.
Article
Materials Science, Multidisciplinary
Srishti Pal, Pallavi Malavi, Arijit Sinha, Anzar Ali, Piyush Sakrikar, Boby Joseph, Umesh V. Waghmare, Yogesh Singh, D. V. S. Muthu, S. Karmakar, A. K. Sood
Summary: The structural evolution of Cu2IrO3 under pressure was investigated using powder X-ray diffraction and Raman scattering. A structural phase transition from monoclinic to triclinic phase was observed, with the triclinic phase exhibiting distorted honeycomb lattice and collapsed interlayer separation. The high-pressure phase showed resilient nonmetallic behavior with reduced resistivity.
Article
Materials Science, Multidisciplinary
S. Laureti, F. D'Acapito, P. Imperatori, E. Patrizi, G. Varvaro, A. Puri, C. Cannas, A. Capobianchi
Summary: The mechanism of synthesizing highly ordered magnetic L1(0) alloys using the pre-ordered precursor reduction (PPR) approach is investigated. The results show that this method can form highly ordered alloys under milder conditions and has potential importance for synthesizing other alloys with chemical ordering.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Rajesh Jana, Alka B. Garg, Boby Joseph, Brahmananda Chakraborty, K. A. Irshad, Rekha Rao
Summary: In this study, a detailed investigation on the magnetoelectric material Co4Nb2O9 under high pressure is conducted using Raman spectroscopy, synchrotron x-ray diffraction, and dielectric constant measurements combined with density functional theory (DFT) simulations. The results reveal three isostructural phase transitions at around 5.2, 8.5, and 11.5 GPa, as well as spin-phonon coupling and crystal symmetry transitions. These findings provide insights into the structural and electronic properties of Co4Nb2O9 under high pressure.
