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
Materials Science, Multidisciplinary
S. M. Kumawat, G. D. Dwivedi, Y. H. Chien, P. F. Su, Z. H. Huang, H. Chou
Summary: We report an increase in magnetic ordering temperature and a structural phase transition in the (Mn1-xFex)(3)O-4 (x = 0.00-0.40) system. The lattice constants gradually converge with Fe-substitution and the room temperature magnetic moments increase. Fe3+ cations preferentially occupy octahedral sites and their presence is confirmed by X-ray absorption spectra.
MATERIALS RESEARCH BULLETIN
(2022)
Article
Chemistry, Multidisciplinary
Nina Andrejevic, Jovana Andrejevic, B. Andrei Bernevig, Nicolas Regnault, Fei Han, Gilberto Fabbris, Thanh Nguyen, Nathan C. Drucker, Chris H. Rycroft, Mingda Li
Summary: Topological materials discovery is significant in condensed matter physics, but the experimental determination of materials' topology is challenging. Researchers have used X-ray absorption spectroscopy and neural networks to predict the topological class of materials, potentially leading to the discovery of new topological materials and further understanding of field-driven phenomena.
ADVANCED MATERIALS
(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
Yogesh Kumar, S. Tripathi, Mangla Nand, R. Jangir, V. Srihari, A. Das, R. Singh, U. Deshpande, S. N. Jha, A. Arya
Summary: This study investigated the effect of Nd doping on the structural, optical, and electronic properties of lanthanum monazite structure. Pure and Nd-doped LaPO4 powders were prepared and analyzed for their composition, oxidation states, crystal structure, and bandgaps. The results confirmed the successful substitution of Nd in the LaPO4 matrix and provided insights into the local structure using extended X-ray absorption fine structure analysis.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Chih-Hao Hsu, Wei-Hsiang Huang, Chin-Jung Lin, Chun-Hao Huang, Yi-Che Chen, Krishna Kumar, Yan-Gu Lin, Chung-Li Dong, Maw-Kuen Wu, Bing Joe Hwang, Wei-Nien Su, Shih-Yun Chen, Chi-Liang Chen
Summary: Carbon@titania yolk-shell nanostructures are successfully synthesized and used as a photocatalyst to degrade acetaminophen. The presence of residual carbon nanospheres is found to improve the photocatalytic efficiency. X-ray absorption spectroscopy analysis reveals the structural and electronic changes in the hollow shell. In situ XAS measurements show that the existence of amorphous carbon nanospheres inhibits the recombination of electron-hole pairs, leading to enhanced photodegradation of acetaminophen. Charge transfer from TiO2 to carbon nanospheres reduces electron-hole recombination and increases photocatalytic efficiency.
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
Optics
Hui Hu, Xia-Ji Liu
Summary: We conducted a systematic study on a mobile impurity immersed in a three-dimensional Fermi sea of fermions at finite temperature. By using the standard non-self-consistent many-body T-matrix theory, we determined the impurity spectral function and avoided potential errors in previous calculations. The results showed that the quasiparticle decay rate of both attractive and repulsive polarons does not increase significantly with increasing temperature in the weak-coupling limit, while near the unitary limit with strong coupling, the decay rate of Fermi polarons rapidly increases and the quasiparticle picture breaks down close to the Fermi temperature.
Article
Crystallography
Vinod Panchal, Laura Pampillo, Sergio Ferrari, Vitaliy Bilovol, Catalin Popescu, Daniel Errandonea
Summary: In this study, Co-doped SnO2 nanocrystals with a tetragonal rutile-type structure were subjected to high-pressure conditions up to 20.9 GPa. It was found that the Co-doped SnO2 undergoes a structural phase transition to an orthorhombic CaCl2-type phase at 14.2 GPa, with no phase coexistence. A discontinuous change in the unit-cell volume was observed during the phase transition, indicating a first-order type phase transition. Upon decompression, the transition was found to be reversible. The results were compared with previous studies on doped and un-doped SnO2, and the compressibility of different phases was discussed.
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)
Article
Physics, Multidisciplinary
Rashmi Kajal, Asokan Kandasami, Bharat Kataria, Pankaj Solanki, Devendra Mohan
Summary: Pulsed laser deposition was used to fabricate SnO2 and SnO2-TiO2 composite thin films on FTO substrates. The addition of TiO2 affected the structural, optical, dielectric, and ac conductivity of the films at room temperature. The composite films had a higher band gap energy and exhibited blue emission bands due to oxygen vacancies or interstitial oxygen ions and defect-related states.
Article
Multidisciplinary Sciences
J. Niskanen, A. Vladyka, J. Niemi, C. J. Sahle
Summary: In this study, we explore the sensitivity of several core-level spectroscopic methods to the atomistic structure using water molecule as a test system. We define a metric to measure the magnitude of spectral change as a function of structure, which enables us to identify structural regions with high spectral sensitivity. By employing machine-learning emulator-based decomposition of structural parameter space, we are able to recover more spectral variance and identify spectroscopically dominant degrees of freedom.
ROYAL SOCIETY OPEN SCIENCE
(2022)
Article
Chemistry, Physical
Mauricio Lopez Luna, Janis Timoshenko, David Kordus, Clara Rettenmaier, See Wee Chee, Adam S. Hoffman, Simon R. Bare, Shamil Shaikhutdinov, Beatriz Roldan Cuenya
Summary: The study investigates the structural and chemical evolution of oxide-supported iron nanoparticles during the activation stages and the CO2 hydrogenation reaction, revealing the preferential formation of iron surface oxides under reaction conditions. The results highlight the important role played by the oxide support in the final structure and composition of nanosized catalysts.
Article
Chemistry, Multidisciplinary
Lucia Amidani, Gavin B. M. Vaughan, Tatiana V. Plakhova, Anna Yu. Romanchuk, Evgeny Gerber, Roman Svetogorov, Stephan Weiss, Yves Joly, Stepan N. Kalmykov, Kristina O. Kvashnina
Summary: Through the combination of HEXS and HERFD XANES analysis, the short- and medium-range order of chemically precipitated ThO2 NPs has been characterized for the first time, providing new insights into the structures of NPs at different stages of formation. The pair distribution function revealed a high concentration of ThO2 small units mixed with ThO2 NPs in the initial steps of formation, and drying promoted the recrystallization of the smallest units into more thermodynamically stable ThO2 NPs.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Ha Thanh Tung, Thanh Phuong Nguyen, Phuc Dang Huu, Tran Le
Summary: The Ta-doped SnO2 films were deposited at different temperatures and the effects of Ta dopants on the lattice structure and electrical properties were investigated. The substitution of Ta in the SnO2 lattice was found to improve conductivity and optical transmittance, leading to an enhanced photoelectric effect when integrated with Si.
SURFACES AND INTERFACES
(2021)
Article
Spectroscopy
Vinay Rastogi, S. Chaurasia, Usha Rao, C. D. Sijoy, V. Mishra, Manmohan Kumar, M. N. Deo, S. Chaturvedi, Surinder M. Sharma
JOURNAL OF RAMAN SPECTROSCOPY
(2017)
Article
Chemistry, Physical
Ashok K. Verma, P. Modak, Surinder M. Sharma
JOURNAL OF ALLOYS AND COMPOUNDS
(2017)
Article
Optics
Channprit Kaur, S. Chaurasia, A. K. Poswal, D. S. Munda, A. K. Rossall, M. N. Deo, Surinder M. Sharma
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
(2017)
Article
Chemistry, Physical
R. S. Ningthoujam, Anurag Gautam, N. Padma
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2017)
Article
Chemistry, Physical
Nishant N. Patel, Ashok K. Verma, A. K. Mishra, Meenakshi Sunder, Surinder M. Sharma
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2017)
Article
Multidisciplinary Sciences
Stefan J. Turneaure, Surinder M. Sharma, Travis J. Volz, J. M. Winey, Yogendra M. Gupta
Article
Physics, Multidisciplinary
Stefan J. Turneaure, Surinder M. Sharma, Y. M. Gupta
PHYSICAL REVIEW LETTERS
(2018)
Article
Physics, Multidisciplinary
Surinder M. Sharma, Stefan J. Turneaure, J. M. Winey, Yuelin Li, Paulo Rigg, Adam Schuman, Nicholas Sinclair, Y. Toyoda, Xiaoming Wang, Nicholas Weir, Jun Zhang, Y. M. Gupta
PHYSICAL REVIEW LETTERS
(2019)
Article
Physics, Multidisciplinary
Surinder M. Sharma, Stefan J. Turneaure, J. M. Winey, P. A. Rigg, N. Sinclair, Xiaoming Wang, Y. Toyoda, Y. M. Gupta
Article
Materials Science, Multidisciplinary
Y. Cai, C. Lygouras, G. Thomas, M. N. Wilson, J. Beare, D. R. Yahne, K. Ross, Z. Gong, Y. J. Uemura, H. A. Dabkowska, G. M. Luke, S. Sharma, C. A. Marjerrison
Article
Materials Science, Multidisciplinary
P. Renganathan, Stefan J. Turneaure, Surinder M. Sharma, Y. M. Gupta
Article
Materials Science, Multidisciplinary
Debashis Mondal, Velaga Srihari, C. Kamal, Himanshu Poswal, Alka B. Garg, Arumugam Thamizhavel, Soma Banik, Aparna Chakrabarti, Tapas Ganguli, Surinder M. Sharma
Article
Chemistry, Physical
Goutam Singh Ningombam, Nongmaithem Rajmuhon Singh, Raghumani Singh Ningthoujam
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2017)
Article
Physics, Multidisciplinary
N. N. Patel, M. Sunder, S. M. Sharma
INDIAN JOURNAL OF PHYSICS
(2018)
Article
Materials Science, Multidisciplinary
A. Venkateswara Rao, Channprit Kaur, A. A. Pisal, S. Chaurasia, M. N. Deo, S. M. Sharma