A5037094522- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Radioactive element chemistry and processing
- Crystal Structures and Properties
- High Entropy Alloys Studies
- Nuclear materials and radiation effects
- Luminescence Properties of Advanced Materials
- High Temperature Alloys and Creep
- Electrocatalysts for Energy Conversion
- Catalysis and Oxidation Reactions
- Nuclear Materials and Properties
- Inorganic Chemistry and Materials
- Machine Learning in Materials Science
- Intermetallics and Advanced Alloy Properties
- Advanced Materials Characterization Techniques
- High-Temperature Coating Behaviors
- Crystallography and molecular interactions
- Chemical Synthesis and Characterization
- Thermal Expansion and Ionic Conductivity
- MXene and MAX Phase Materials
- 2D Materials and Applications
- Supercapacitor Materials and Fabrication
- Advancements in Battery Materials
- Advanced Photocatalysis Techniques
- Electrospun Nanofibers in Biomedical Applications
Jiangxi University of Science and Technology
2022-2024
Forschungszentrum Jülich
2014-2024
Shanghai University
2013-2024
Shanghai Electric (China)
2024
China University of Mining and Technology
2024
Ruhr University Bochum
2020-2023
City University of Hong Kong
2022
Yunnan University
2022
Xiangtan University
2020
Helmholtz-Zentrum Dresden-Rossendorf
2017-2019
Abstract Complex solid solutions (“high entropy alloys”), comprising five or more principal elements, promise a paradigm change in electrocatalysis due to the availability of millions different active sites with unique arrangements multiple elements directly neighbouring binding site. Thus, strong electronic and geometric effects are induced, which known as effective tools tune activity. With example oxygen reduction reaction, we show that by utilising data‐driven discovery cycle,...
Active, selective and stable catalysts are imperative for sustainable energy conversion, engineering materials with such properties highly desired. High-entropy alloys (HEAs) offer a vast compositional space tuning properties. Too vast, however, to traverse without the proper tools. Here, we report use of Bayesian optimization on model based density functional theory (DFT) predict most active compositions electrochemical oxygen reduction reaction (ORR) least possible number sampled two HEAs...
Abstract High entropy alloys (HEA) comprise a huge search space for new electrocatalysts. Next to element combinations, the optimization of chemical composition is essential tuning HEA specific catalytic processes. Simulations electrocatalytic activity can guide experimental efforts. Yet, currently available underlying model assumptions do not necessarily align with evidence. To study deviations theoretical models and data requires statistically relevant datasets. Here, combinatorial...
Abstract Active, selective and stable catalysts are imperative for sustainable energy conversion, engineering materials with such properties highly desired. High‐entropy alloys (HEAs) offer a vast compositional space tuning properties. Too vast, however, to traverse without the proper tools. Here, we report use of Bayesian optimization on model based density functional theory (DFT) predict most active compositions electrochemical oxygen reduction reaction (ORR) least possible number sampled...
Abstract Complex solid solutions (“high entropy alloys” with a single solid‐solution phase) hold great promise in electrocatalysis because of their nearly unlimited number different active sites exposed at the surface. It has been shown by theoretical studies that multiple arrangements elements directly neighboring binding site create millions differently catalytic sites. We report zooming‐in approach using scanning electrochemical cell microscopy (SECCM) to distinguish between averaged...
High-entropy alloys are claimed to possess superior stability due thermodynamic contributions. However, this statement mostly lies on a hypothetical basis. In study, we use on-line inductively coupled plasma mass spectrometer investigate the dissolution of five representative electrocatalysts in acidic and alkaline media wide potential window targeting most important applications. To address both model applied systems, synthesized thin films carbon-supported nanoparticles ranging from an...
While extensive success has been gained in the structural chemistry of U-Se system, synthesis and characterization Th-based Se structures are widely unexplored. Here, four new Th-Se compounds, α-Th(SeO3)2, β-Th(SeO3)2, Th(Se2O5)2, Th3O2(OH)2(SeO4)3, have obtained from mild hydrothermal or low-temperature (180-220 °C) flux conditions were subsequently structurally spectroscopically characterized. The crystal α-Th(SeO3)2 β-Th(SeO3)2 based on ThO8 SeO3 polyhedra, respectively, featuring a...
Scheelite- and powellite-related materials doped with trivalent lanthanides or actinides have been the subject of extensive research due to their important role in mineralogical, technological, environmental implications. Detailed structural knowledge these solid solutions is essential for understanding physicochemical properties predicting material properties. In this work, we conduct a comprehensive spectroscopic analysis by means polarization-dependent site-selective time-resolved...
Spinel oxides have attracted extensive attention due to their unique physical, chemical, optical, and electronic properties with applications in lithium batteries, photocatalysts, ferroelectricity. Owing a large number of possible cation substitutions, many novel potential are yet be discovered interesting properties. Inspired by the data-driven materials design approach, this work, we developed machine learning (ML) models based on first-principles computational data investigate energy...
Abstract The huge atomic heterogeneity of high-entropy materials along with a possibility to unravel the behavior individual components at scale suggests great promise in designing new compositionally complex systems desired multi-functionality. Herein, we apply multi-edge X-ray absorption spectroscopy (extended fine structure (EXAFS), near edge (XANES), and magnetic circular dichroism (XMCD)) probe structural, electronic, properties all constituents single-phase face-centered cubic...
Four new rubidium thorium molybdates have been synthesized by high-temperature solid-state reactions. The crystal structures of Rb8Th(MoO4)6, Rb2Th(MoO4)3, Rb4Th(MoO4)4, and Rb4Th5(MoO4)12 were determined using single-crystal X-ray diffraction. All these compounds construct from MoO4 tetrahedra ThO8 square antiprisms. studied adopt the whole range possible structure dimensionalities zero-dimensional (0D) to three-dimensional (3D): finite clusters, chains, sheets, frameworks. Rb8Th(MoO4)6...
Two uranyl tungstates, Cs4[(UO2)4(WO5)(W2O8)O2] (CsUW-1) and Cs4[(UO2)7(WO5)3O3] (CsUW-2), were obtained via the high-temperature solid-state synthesis method by reacting nitrate with WO3 in presence of cesium nitrate. CsUW-1 crystallizes space group P21/n, adopting a two-dimensional (2D) sheet structure. CsUW-2 forms three-dimensional (3D) framework constructed complex 2D sheets linked cation–cation interactions UO22+ groups. The fragment presented involves → 3D transformation tungstate...
Three cesium thorium molybdates [Cs2Th(MoO4)3, Cs2Th3(MoO4)7, and Cs4Th(MoO4)4] were synthesized via the high-temperature solid-state method. Cs2Th(MoO4)3 crystallizes in orthorhombic space group Pnnm, containing [Th(MoO4)3]2– chains extending along [100] direction. Cs2Th3(MoO4)7 is based on an open framework with channels occupied by Cs+ ions running parallel through It first case which atoms coordinate simultaneously three distinct environments, namely, 7-coordinated pentagonal bipyramid,...
The exploration of phase formation in the Th-Mo/W-Te systems has resulted four mixed oxo-anion compounds from high-temperature solid-state reactions: ThWTe2O9, Th(WO4)(TeO3), ThMoTe2O9, and Th2(MoO4)(TeO3)3. All contain edge-sharing thorium polyhedra linked by MoO4/WO6 different tellurium oxo-groups to form three-dimensional frameworks. In each helical Th based chain is connected tungstotellurite clusters resulting a building fragment which cross-section four-leafed clovers. structure...