Article
Chemistry, Multidisciplinary
Debojit Paul, Gopal Das
Summary: Pure CaMnO3 perovskite synthesized using biomineralized vaterite as the calcium source exhibits a low bandgap energy, enabling absorption of visible light and serving as a photocatalyst in the degradation of toxic dyes. The efficient degradation of rhodamine 6G by pure CaMnO3 compared to mixed-phase calcium manganese oxide is attributed to its higher photocatalytic activity.
Article
Energy & Fuels
Eleni F. Iliopoulou, Charitini Matsouka, Eleni Pachatouridou, Flora Papadopoulou, Antonios Psarras, Antigoni Evdou, Vassilios Zaspalis, Lori Nalbandian
Summary: Novel customized lanthanum calcium manganese perovskite structures with varying calcium content were studied for their oxygen transfer capacity, methane oxidation ability, selectivity to CO2 and CO, and stability in multiple reduction-oxidation cycles. The results showed that increasing calcium content enhanced the reducibility and oxygen adsorption capacity of the materials. Among the studied perovskites, CaMnO3 demonstrated the best redox properties.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Kaibin Chu, Fuzhu Liu, Jiawei Zhu, Hui Fu, Haiyan Zhu, Yinlong Zhu, Yu Zhang, Feili Lai, Tianxi Liu
Summary: This study introduces a strategy to enhance NRR activity by modulating oxygen vacancies induced by A-site deficiencies in perovskite oxides. Experimental results show that increasing La-site deficiencies and oxygen vacancies can significantly improve NRR activity, leading to higher NH3 production. The favorable properties of oxygen vacancies include promoting the adsorption/activation of reaction species and optimizing reaction pathways.
ADVANCED ENERGY MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
A. M. Zhang, H. F. Cao, X. X. Pan, J. J. Zhu, X. S. Wu
Summary: Epitaxial orthorhombic LuMnO3 films with in-plane compressive strain were deposited on (001)-LaAlO3 substrates by pulsed laser deposition. The strain-induced change in MnO6 distortion and in-plane Mn-O bond lengths suppressed the antiferromagnetic ordering and induced ferromagnetic ordering. The magnetic states of the films can be sensitively manipulated by tuning the thickness and strain distribution.
Article
Chemistry, Physical
Fan Yang, Jinhao Xie, Dewei Rao, Xiaoqing Liu, Jiuxing Jiang, Xihong Lu
Summary: Through a thermal-induced MnO6 octahedral distortion strategy, the surface electron redistribution of calcium manganite is optimized, accelerating the electron transfer between oxygen and manganese sites, significantly enhancing the oxygen catalytic activities.
Article
Chemistry, Multidisciplinary
Bingzhang Lu, Carolin B. Wahl, Xiao Kun Lu, Matthew E. Sweers, Haifeng Li, Vinayak P. Dravid, Linsey C. Seitz
Summary: Heteroanionic materials offer great opportunities for materials design with adjustable properties. In this study, the researchers successfully synthesized a perovskite oxynitride with a small fraction of sites substituted with iridium, leading to high activity and efficient utilization of precious metal content as an electrocatalyst. The material exhibited unique coordination structure and demonstrated enhanced performance compared to commercial Pt/C.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Bingzhang Lu, Carolin B. Wahl, Xiao Kun Lu, Matthew E. Sweers, Haifeng Li, Vinayak P. Dravid, Linsey C. Seitz
Summary: Heteroanionic materials have adjustable properties and provide great opportunities for materials design. In this study, a perovskite oxynitride material with a small fraction of sites substituted with Ir was successfully prepared and used as an electrocatalyst, exhibiting high activity and efficient utilization of precious metal content.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Materials Science, Ceramics
Yuchen Liu, Kaili Chu, Yu Zhou, Yiran Li, Wenxian Li, Bin Liu
Summary: This study focuses on high-throughput first-principles calculations of orthorhombic perovskite oxides, aiming to explore new thermal barrier coating (TBC) materials with low thermal conductivities. The average atomic volume is identified as a possible predictor of the thermal conductivity for the perovskite oxides, and five compounds with low thermal conductivities and good damage tolerance are proposed as novel TBC materials. This research is expected to inspire the design and future functionality investigations of perovskite oxide-based TBC materials.
JOURNAL OF ADVANCED CERAMICS
(2022)
Article
Chemistry, Physical
Yongbin Hua, Jae Su Yu
Summary: Single Sm3+-activated double-perovskite A2BNbO6 (A = Ca, Sr, and Ba; B = Y and In) phosphors were prepared by adjusting the chemical compositions of A and B sites. The Ca2YNbO6:Sm3+ phosphors showed the strongest emission intensity, and a redshift in the photoluminescence emission spectrum was observed after regulating Ca to Sr and Ba compositions. Furthermore, all the obtained samples exhibited beneficial thermal stability (>62% at 423 K), with Ca2InNbO6:Sm3+ phosphors displaying the highest thermal stability (93.20% at 423 K). The luminescence characteristics of the phosphors were also systematically analyzed.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Woonbae Sohn, Taemin Ludvic Kim, Tae Hyung Lee, Sangmoon Yoon, Chungsoo Kim, Jung-Woo Yoo, Kwang Chul Roh, Miyoung Kim, Ho Won Jang
Summary: This study demonstrates how the formation of a two-dimensional electron gas (2DEG) at the LaAlO3 (LAO)/SrTiO3 (STO) interface can be manipulated by controlling the octahedral tilt of perovskite oxides through interface engineering.
Article
Thermodynamics
J. X. Flores-Lasluisa, E. Huerta, D. Cazorla-Amoros, E. Moralion
Summary: Manganese-based materials were optimized for the oxygen reduction reaction (ORR) by controlling the crystalline phases and the concentration of surface-active species. The synthesized LaMnO3-manganese oxides composites showed different crystal phases and crystallite sizes depending on the concentration of lanthanum. Higher concentrations of lanthanum increased the surface concentration of manganese and provided more active sites for ORR. Among the materials tested, La0.6MnOz mixed with carbon black exhibited the best electrocatalytic performance and high methanol tolerance, making it a promising alternative to Pt-based materials in alkaline electrolytes.
Article
Materials Science, Multidisciplinary
Santosh Chauhan, Amreesh Chandra, Shivendra Kumar Jaiswal
Summary: X-ray photoelectron spectra, conductivity, and oxygen permeability of perovskite-type (Ba0.5Sr0.5)(Fe1-xCex)O3-6 (x = 0-1.0) oxides were investigated. The concentration of Fe4+ and Ce4+ decreases with increasing x, leading to an increase in oxygen deficiency. The oxygen permeability of the membranes exhibits the maximum for x = 0 (cubic phase) and decreases for other compositions. The conductivity increases initially and then decreases with increasing cerium concentration.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Physical
Ashley P. Black, Carlos Frontera, Arturo Torres, Miguel Recio-Poo, Patrick Rozier, Juan D. Forero-Saboya, Francois Fauth, Esteban Urones-Garrote, M. Elena Arroyo-de Dompablo, M. Rosa Palacin
Summary: Ca2MnO3.5 and CaV2O4 were found to be promising positive electrode materials for calcium metal based high-energy density batteries. Experimental and research results reveal various characteristics and reaction mechanisms of these materials. For Ca2MnO3.5, electrochemical oxidation leads to the occurrence of F- intercalation, while CaV2O4 enables the electrochemical extraction of calcium ions and the formation of a solid solution.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Xuefeng Zhou, Wenwen Xu, Zhigang Gui, Chao Gu, Jian Chen, Jianyu Xie, Xiaodong Yao, Junfeng Dai, Jinlong Zhu, Liusuo Wu, Er-jia Guo, Xiaohui Yu, Leiming Fang, Yusheng Zhao, Li Huang, Shanmin Wang
Summary: Based on high-quality samples synthesized by a high-pressure method, the crystal structure and properties of LaWN3 have been studied comprehensively. It is found that LaWN3 adopts an orthorhombic Pna2(1) structure with a polar symmetry along the c-axis. The atomic polar distortions in LaWN3 are driven by covalent hybridization of W: 5d and N: 2p orbitals, which leads to its semiconducting behaviors. This study provides important insights into the structures and properties of nitride perovskites.
Review
Chemistry, Multidisciplinary
Liang Han, Jiawei Zhang, Minda Zou, Jianhua (Joshua) Tong
Summary: This review summarizes the leading-edge development, synthetic strategies, and structural advantages of perovskite oxide-based coupled nanocomposites. It discusses their potential in energy-related applications and provides insights into the current scientific issues and opportunities in this field.
Article
Chemistry, Analytical
Nerija Zurauskiene, Voitech Stankevic, Skirmantas Kersulis, Milita Vagner, Valentina Plausinaitiene, Jorunas Dobilas, Remigijus Vasiliauskas, Martynas Skapas, Mykola Koliada, Jaroslaw Pietosa, Andrzej Wisniewski
Summary: The results of this study show that the microstructure, resistivity, and magnetoresistive properties of LSMO films grown by the pulsed injection MOCVD technique are strongly influenced by the concentrations of strontium and manganese. The highest metal-insulator transition temperature (T-m) observed was 270 K, while the highest low-field magnetoresistance at room temperature was 0.8%.
Article
Nuclear Science & Technology
Zbigniew Werner, Marek Barlak, Renata Ratajaczak, Ulrich Kentsch, Rene Heller, Frans Munnik, Piotr Konarski, Piotr Dluzewski, Marcin Pisarek, Miroslaw Kozlowski, Joachim Azgin, Jerzy Zagorski, Bogdan Staszkiewicz
Summary: This paper describes the recovery effects of pulsed electron beam treatment on Ge single crystals implanted with various doses of Sn ions at room and low temperatures. The results show that the Sn concentration can reach 1% and above with good substitutionality, and excellent lattice recovery is achieved after e-beam melting. Suggestions are given for further improvement of the pulsed e-beam technique.
RADIATION EFFECTS AND DEFECTS IN SOLIDS
(2022)
Article
Chemistry, Physical
Nacira Djellal, Pawel Peczkowski, Djamel Eddine Mekki, Elena Navarro, Tarek Tahraoui, Jaroslaw Pietosa, Jan Marek Michalik, Pilar Marin, Lukasz Gondek
Summary: This study reports the magnetic properties of lanthanide-substituted Fe-Co alloy nanoparticles prepared by mechanical alloying. The results show that the dopant type has a significant impact on the magnetic properties, and the processing route presented here is cost-effective for large-scale production of soft magnetic materials.
Article
Chemistry, Physical
Sylwia Terpilowska, Stanislaw Gluszek, Elzbieta Czerwosz, Halina Wronka, Piotr Firek, Jan Szmidt, Malgorzata Suchanska, Justyna Keczkowska, Bozena Kaczmarska, Miroslaw Kozlowski, Ryszard Diduszko
Summary: This study aims to investigate the influence of nano-Ag grains embedded in a carbonaceous matrix on cytotoxicity, genotoxicity in fibroblasts, and mutagenicity. It was found that these properties depend on Ag grain size.
Article
Chemistry, Multidisciplinary
Leszek Gladczuk, Lukasz Gladczuk, Piotr Dluzewski, Pavlo Aleshkevych, Artem Lynnyk, Gerrit van der Laan, Thorsten Hesjedal
Summary: Topological electronic materials hold promise for spintronics revolution. Common topological insulator materials suffer from high defect concentration. Low-temperature growth of alpha-Sn films on Co preserve the sharp interface and magnetic properties of the Co layer.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Physics, Applied
Abinash Adhikari, Pawel Strak, Piotr Dluzewski, Agata Kaminska, Ewa Przezdziecka
Summary: Semiconductor superlattices have wide applications in the electronic industry. In this study, a short-period superlattice structure composed of CdO and MgO layers was fabricated and its optical properties and pressure dependence of bandgap were investigated. The experimental results were supported by theoretical calculations, providing valuable insight for future optoelectronic applications.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Anastasiia Lysak, Ewa Przezdziecka, Aleksandra Wierzbicka, Piotr Dluzewski, Jacek Sajkowski, Krzysztof Morawiec, Adrian Kozanecki
Summary: The structural properties of {ZnO/CdO}(30) superlattices grown at different temperatures were investigated using high resolution XRD and TEM methods. It was found that growth at relatively low temperatures is favorable for the quality of the superlattices and the thicknesses of the ZnO and CdO sublayers change with growth temperature. TEM analysis also confirmed the deterioration of the structure quality and changes in the period of the superlattices.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Salvador R. G. Balestra, Bruno Martinez-Haya, Norge Cruz-Hernandez, Dewi W. Lewis, Scott M. Woodley, Rocio Semino, Guillaume Maurin, A. Rabdel Ruiz-Salvador, Said Hamad
Summary: We studied the nucleation of Zeolitic Imidazolate Frameworks using computational techniques. The ZnIm(4) cluster was found to be the prevalent cluster in the pre-nucleating solution. However, other clusters such as ZnIm(3), Zn(2)Im(7), Zn(3)Im(9), Zn(3)Im(10), or Zn(4)Im(12) also exist in appreciable quantities. We observed that glassy clusters are the first to form in the nucleation process, which then undergo transformation to crystal structures.
Article
Physics, Applied
B. Camino, J. Buckeridge, P. A. Warburton, V. Kendon, S. M. Woodley
Summary: This paper demonstrates the use of quantum computers for computational chemistry and materials science, specifically in calculating the relative energy of defective graphene structures using a quantum annealer. The methodology and code used in the simulation are provided as a quick-start guide for computational chemists interested in running quantum annealing simulations.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
K. Morawiec, V. D. Popovych, W. Zajkowska, P. Dluzewski, A. Zywczak, P. Sagan, Yu. Yu. Skvarok, M. Kuzma, M. Shiojiri
Summary: The effects of heavy doping with Cr and doping-induced precipitation on the magnetism of CdTe crystals were investigated. It was found that monoclinic [Cr(Cd)]3Te4 precipitates formed on the {111} planes of Cd(Cr)Te matrix. The CdTe:Cr crystals were confirmed to have ferromagnetism from liquid nitrogen temperature to above room temperatures.
JOURNAL OF MATERIALS SCIENCE
(2023)
Editorial Material
Multidisciplinary Sciences
C. Richard A. Catlow, Nora H. De Leeuw, Angelos Michaelides, Scott M. Woodley
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Chemistry, Physical
Sylwia Gieraltowska, Lukasz Wachnicki, Piotr Dluzewski, Bartlomiej S. Witkowski, Marek Godlewski, Elzbieta Guziewicz
Summary: The atomic layer deposition (ALD) of HfO2 from TDMAH and water or ammonia water at temperatures below 400 degrees C was investigated. The growth per cycle (GPC) ranged from 1.2 to 1.6 angstrom. At low temperatures (<= 100 degrees C), the films grew faster but were more disordered, amorphous and/or polycrystalline with smaller crystal sizes. At higher temperatures, the films were better crystallized but grew slower. Deposition at temperatures above 300 degrees C improved GPC, dielectric constant, and crystalline structure. Furthermore, using ammonia water as an oxygen precursor increased the dielectric constant of the films.
Article
Chemistry, Physical
Wojciech Patkowski, Magdalena Zybert, Hubert Ronduda, Gabriela Gawronska, Aleksander Albrecht, Dariusz Moszynski, Aleksandra Fidler, Piotr Dluzewski, Wioletta Rarog-Pilecka
Summary: A series of neodymium oxide-supported cobalt catalysts with different cobalt content were prepared. The effect of cobalt content on the structure, morphology, crystal structure, surface state, composition and activity of the catalysts was investigated. The results show that the catalyst activity strongly depends on the cobalt content due to the changes in cobalt particle size. The productivity per catalyst mass increases with cobalt content, while TOF remains constant.
Article
Crystallography
Houri S. Rahimi Mosafer, Wojciech Paszkowicz, Roman Minikayev, Christine Martin, Miroslaw Kozlowski, Oksana Chukova, Yaroslav Zhydachevskyy, Serhii Nedilko
Summary: The structural and luminescence properties of a new material, Ca10.5-xNix(VO4)(7), formed by substitution of a fraction of calcium by nickel, are studied as a function of the Ni content (x). The structure of the unsubstituted material is conserved up to the solubility limit, x = 0.72(2), and samples exceeding this limit contain impurity phase. Ni atoms preferentially occupy the M5 site, and the thermal expansion coefficient decreases with rising Ni content. The optical band gap and photoluminescence intensity decrease with increasing Ni concentration.
