33 results on '"Hao, Yucheng"'
Search Results
2. A network-based approach to improving robustness of a high-speed train by structure adjustment
- Author
-
Hao, Yucheng, Jia, Limin, Zio, Enrico, Wang, Yanhui, and He, Zhichao
- Published
- 2024
- Full Text
- View/download PDF
3. A method for reliability assessment of complex electromechanical system based on improved network connectivity entropy
- Author
-
He, Zhichao, Wang, Yanhui, Xia, Weifu, Shen, Yue, Hao, Yucheng, and Ren, Qiuyang
- Published
- 2023
- Full Text
- View/download PDF
4. Improving resilience of high-speed train by optimizing repair strategies
- Author
-
Hao, Yucheng, Jia, Limin, Zio, Enrico, Wang, Yanhui, Small, Michael, and Li, Man
- Published
- 2023
- Full Text
- View/download PDF
5. A multi-objective optimization model for identifying groups of critical elements in a high-speed train
- Author
-
Hao, Yucheng, Jia, Limin, Zio, Enrico, Wang, Yanhui, and He, Zhichao
- Published
- 2023
- Full Text
- View/download PDF
6. Modeling failure propagation to analyze the vulnerability of the complex electromechanical systems under network attacks
- Author
-
Xia, Weifu, Wang, Yanhui, and Hao, Yucheng
- Published
- 2023
- Full Text
- View/download PDF
7. Supply reliability-driven joint optimization of maintenance and spare parts inventory in a gas pipeline system
- Author
-
Fan, Lin, Su, Huai, Zio, Enrico, Li, Yuejun, Zhang, Li, Peng, Shiliang, He, Yuxuan, Hao, Yucheng, and Zhang, Jinjun
- Published
- 2023
- Full Text
- View/download PDF
8. U(V) Stabilization via Aliovalent Incorporation of Ln(III) into Oxo‐salt Framework.
- Author
-
Yu, Yi, Hao, Yucheng, Xiao, Bin, Langer, Eike, Novikov, Sergei A., Ramanantoanina, Harry, Pidchenko, Ivan, Schild, Dieter, Albrecht‐Schoenzart, Thomas E., Eichel, Rüdiger‐A., Vitova, Tonya, and Alekseev, Evgeny V.
- Abstract
Pentavalent uranium compounds are key components of uranium‘s redox chemistry and play important roles in environmental transport. Despite this, well‐characterized U(V) compounds are scarce primarily because of their instability with respect to disproportionation to U(IV) and U(VI). In this work, we provide an alternate route to incorporation of U(V) into a crystalline lattice where different oxidation states of uranium can be stabilized through the incorporation of secondary cations with different sizes and charges. We show that iriginite‐based crystalline layers allow for systematically replacing U(VI) with U(V) through aliovalent substitution of 2+ alkaline‐earth or 3+ rare‐earth cations as dopant ions under high‐temperature conditions, specifically Ca(UVIO2)W4O14 and Ln(UVO2)W4O14 (Ln=Nd, Sm, Eu, Gd, Yb). Evidence for the existence of U(V) and U(VI) is supported by single‐crystal X‐ray diffraction, high energy resolution X‐ray absorption near edge structure, X‐ray photoelectron spectroscopy, and optical absorption spectroscopy. In contrast with other reported U(V) materials, the U(V) single crystals obtained using this route are relatively large (several centimeters) and easily reproducible, and thus provide a substantial improvement in the facile synthesis and stabilization of U(V). [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
9. Na3[Al2B6P4O22(OH)3](H2O)6 and Na3[Al2BP2O11](H2O)0.5: Two Remarkable Complex Aluminum Borophosphates
- Author
-
Hao, Yucheng, Deng, Jian, Chen, Changlin, Lin, Yuan, Li, Haijian, Qin, Guangchao, and Hu, Kunhong
- Published
- 2024
- Full Text
- View/download PDF
10. First Potassium Fluoroaluminate Ionic Exchanger for Rapid and Selective Removal of Sr2+ with High Capacity.
- Author
-
Hao, Yucheng, Chen, Yongjian, Cao, Xin, Chen, Changlin, Xu, Min, Lin, Yuan, Li, Haijian, and Hu, Kunhong
- Subjects
- *
CHEMICAL stability , *INDUSTRIAL wastes , *ENVIRONMENTAL health , *POTASSIUM , *POTASSIUM ions , *SOIL acidity , *RADIOACTIVE wastes - Abstract
90Sr, as a typical artificial radionuclide, poses a serious threat to human health and the ecological environment. The selective removal of this radionuclide from industrial nuclear waste is crucial for our environment. Here we report a novel potassium fluoroaluminate, K2[(AlF5)H2O], which was synthesized by a simple low‐temperature one‐step method. It adopts a 1D AlF6‐chain structure, which consists of exchangeable potassium ions in between the infinite chains of octahedral Al centers. As a remarkable inorganic ionic exchanger, K2[(AlF5)H2O] has a high chemical stability (resistance of pH=~3‐12) and thermal stability (≥~300 °C). It possesses an excellent adsorption selectivity (Kd=~6.1×104 mL ⋅ g−1) and a maximum adsorption capacity of qm=~120.32 mg ⋅ g−1 for Sr2+. Importantly, it still keep a very good selectivity for Sr2+ ions even in the presence of competing Na+, Mg2+ and Ca2+ aqueous solutions. K2[(AlF5)H2O] is the first example of fluoroaluminate ionic exchange materials that can capture Sr2+. This result opens up a new way to design and synthesize inorganic ionic exchangers for the selective removal of Sr2+ ions from radioactive waste water. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
11. Cascading failures in networks with the harmonic closeness under edge attack strategies
- Author
-
Hao, Yucheng, Wang, Yanhui, Jia, Limin, and He, Zhichao
- Published
- 2020
- Full Text
- View/download PDF
12. Robustness of weighted networks with the harmonic closeness against cascading failures
- Author
-
Hao, Yucheng, Jia, Limin, and Wang, Yanhui
- Published
- 2020
- Full Text
- View/download PDF
13. Edge attack strategies in interdependent scale-free networks
- Author
-
Hao, Yucheng, Jia, Limin, and Wang, Yanhui
- Published
- 2020
- Full Text
- View/download PDF
14. Mg3Pt(BO3)2O2: The first platinum borate from the flux technique
- Author
-
Hao, Yucheng, He, Linbo, Ge, Guangjie, Zhang, Quanzheng, Luo, Ningjing, Huang, Shuping, Li, Haijian, and Alekseev, Evgeny V.
- Published
- 2020
- Full Text
- View/download PDF
15. Structures, thermal expansion, chemical stability and crystallization behavior of phosphate-based glasses by influence of rare earth
- Author
-
Li, Haijian, Yi, Jianhua, Qin, Zhao, Sun, Zhihua, Xu, Yi, Wang, Changjian, Zhao, Fengqi, Hao, Yucheng, and Liang, Xiaofeng
- Published
- 2019
- Full Text
- View/download PDF
16. A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures.
- Author
-
Hao, Yucheng, Zhang, Yang, Zhang, Yuying, Fu, Zixiang, Heng, Chunyang, Li, Junjie, You, Jiatian, Hu, Kunhong, Lin, Yuan, and Li, Haijian
- Subjects
- *
PHOSPHITES , *MOLECULAR structure , *SECOND harmonic generation , *REFLECTANCE spectroscopy , *INFRARED spectroscopy , *TETRAHEDRA - Abstract
Four new phosphites/phosphates, namely Al[P2O3(OH)3](H2O), Al[(HPO3)(OH)(H2O)], Ca[HPO3] and Al3P6O19.5, were designed and synthesized by low temperature flux methods. They crystallized in P63mc, P1¯, P43212, and P63/m space groups, respectively. The basic units of Al[P2O3(OH)3](H2O), Al[(HPO3)(OH)(H2O)] and Ca[HPO3] are composed of [PO3]3− or/and [AlO6]9− groups, whereas the structure of Al3P6O19.5 is built from [PO4]3− tetrahedra and [AlO6]9− octahedra. The structure of Al[P2O3(OH)3](H2O) features a two-dimensional (2D) layered motif of Al[P2O3(OH)3]. Meanwhile, Al[(HPO3)(OH)(H2O)] has high porosity and relatively large channels, and has an excellent molecular sieve structure. Both Al[P2O3(OH)3](H2O) and Al[(HPO3)(OH)(H2O)] display deep ultraviolet (UV) cut-off edges of ∼195 nm and ∼193 nm. The three-dimensional (3D) structure of Al3P6O19.5 is formed by [Al2O9] dimers connected with six PO4 tetrahedra, and one PO4 tetrahedron linked three [Al2O9] dimers alternately. Importantly, Ca[HPO3] shows a moderate second harmonic generation (SHG) effect with a short UV cut-off edge of ∼192 nm in the deep-UV region. The syntheses and topological structures of Al[P2O3(OH)3](H2O), Al[(HPO3)(OH)(H2O)], Ca[HPO3] and Al3P6O19.5, together with some related properties, such as nonlinear optical (NLO) properties, elemental analysis, thermal stability, infrared spectroscopy, Raman spectroscopy and UV-vis diffuse reflectance spectroscopy, are also discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2023
- Full Text
- View/download PDF
17. Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]: from 2D layered polar to 3D centrosymmetric framework structures.
- Author
-
Li, Xinlei, Zhang, Yang, Pan, Yang, Hao, Yucheng, Lin, Yuan, Li, Haijian, Li, Minghua, Fan, Changzeng, and Alekseev, Evgeny V.
- Subjects
STRUCTURAL frames ,SPACE groups ,TETRAHEDRA ,INFRARED spectroscopy ,ELEMENTAL analysis ,ALKALI metals - Abstract
Two novel alkali metal aluminophosphates, namely, Li
3 [Al(PO4 )2 (H2 O)1.5 ] and Na[AlP2 O7 ], were synthesized through low-temperature flux methods. They crystallized in the P4 and C2/c space groups, respectively. Both structures of Li3 [Al(PO4 )2 (H2 O)1.5 ] and Na[AlP2 O7 ] were built up by AlO6 octahedra and PO4 tetrahedra. The structure of Li3 [Al(PO4 )2 (H2 O)1.5 ] was composed of novel two-dimensional (2D) aluminophosphate layers, which contained two types of eight-membered rings (8-MRs) along the c-axis. The structure of Na[AlP2 O7 ] featured a unique 3D anionic framework composed of corner-sharing isolated AlO6 octahedra and PO4 tetrahedra. Three intersecting tunnels along the [001], [110], and [101] directions could be observed. Importantly, the material Li3 [Al(PO4 )2 (H2 O)1.5 ] crystallized in the polar space group P4, showing a moderate second-harmonic generation (SHG) effect. Moreover, Na[AlP2 O7 ] exhibited a wide transparency range with a short ultraviolet (UV) cut-off edge (∼190 nm), which indicated its potential application in the deep-UV region. Herein, the syntheses and topological structures of Li3 [Al(PO4 )2 (H2 O)1.5 ] and Na[AlP2 O7 ], as well as elemental analysis, thermal stability, infrared spectroscopy, UV-vis diffuse reflectance, structural properties, and nonlinear optical (NLO) properties are also discussed. [ABSTRACT FROM AUTHOR]- Published
- 2022
- Full Text
- View/download PDF
18. Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5.
- Author
-
Hao, Yucheng, Murphy, Gabriel L., Kegler, Philip, Li, Yan, Kowalski, Piotr M., Blouin, Simon, Zhang, Yang, Wang, Shuao, Robben, Lars, Gesing, Thorsten M., and Alekseev, Evgeny V.
- Subjects
- *
AB-initio calculations , *RIETVELD refinement , *X-ray powder diffraction , *X-ray diffraction measurement , *MOLECULAR volume - Abstract
A novel polymorph of ThB2O5, denoted as β-ThB2O5, was synthesised under high-temperature high-pressure (HT/HP) conditions. Via single crystal X-ray diffraction measurements, β-ThB2O5 was found to form a three-dimensional (3D) framework structure where thorium atoms are ten-fold oxygen coordinated forming tetra-capped trigonal prisms. The only other known polymorph of ThB2O5, denoted α, synthesised herein using a known borax, B2O3–Na2B4O7, high temperature solid method, was found to transform to the β polymorph when exposed to conditions of 4 GPa and ∼900 °C. Compared to the α polymorph, β-ThB2O5 has smaller molar volume by approximately 12%. Exposing a mixture of the α and β polymorphs to HT/HP conditions ex situ further demonstrated the preferred higher-pressure phase being β, with no α phase material being observed via Rietveld refinements against laboratory X-ray powder diffraction (PXRD) measurements. In situ heating PXRD measurements on α-ThB2O5 from RT to 1030 °C indicated that α-ThB2O5 transforms to the β variant at approximately 900 °C via a 1st order mechanism. β-ThB2O5 was found to exist only over a narrow temperature range, decomposing above 1050 °C. Ab initio calculations using density functional theory (DFT) with the Hubbard U parameter indicated, consistent with experimental observations, that β is both the preferred phase at higher temperatures and high pressures. Interestingly, it was found by switching from B2O3–Na2B4O7 to H3BO3–Li2CO3 flux using consistent high temperature solid state conditions for the synthesis of the α variant, β-ThB2O5 could be generated. Comparison of their single crystal measurements showed this was identical to that obtained from HT/HP conditions. [ABSTRACT FROM AUTHOR]
- Published
- 2022
- Full Text
- View/download PDF
19. Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5.
- Author
-
Hao, Yucheng, Murphy, Gabriel L., Kegler, Philip, Li, Yan, Kowalski, Piotr M., Blouin, Simon, Zhang, Yang, Wang, Shuao, Robben, Lars, Gesing, Thorsten M., and Alekseev, Evgeny V.
- Subjects
AB-initio calculations ,RIETVELD refinement ,X-ray powder diffraction ,X-ray diffraction measurement ,MOLECULAR volume - Abstract
A novel polymorph of ThB
2 O5 , denoted as β-ThB2 O5 , was synthesised under high-temperature high-pressure (HT/HP) conditions. Via single crystal X-ray diffraction measurements, β-ThB2 O5 was found to form a three-dimensional (3D) framework structure where thorium atoms are ten-fold oxygen coordinated forming tetra-capped trigonal prisms. The only other known polymorph of ThB2 O5 , denoted α, synthesised herein using a known borax, B2 O3 –Na2 B4 O7 , high temperature solid method, was found to transform to the β polymorph when exposed to conditions of 4 GPa and ∼900 °C. Compared to the α polymorph, β-ThB2 O5 has smaller molar volume by approximately 12%. Exposing a mixture of the α and β polymorphs to HT/HP conditions ex situ further demonstrated the preferred higher-pressure phase being β, with no α phase material being observed via Rietveld refinements against laboratory X-ray powder diffraction (PXRD) measurements. In situ heating PXRD measurements on α-ThB2 O5 from RT to 1030 °C indicated that α-ThB2 O5 transforms to the β variant at approximately 900 °C via a 1st order mechanism. β-ThB2 O5 was found to exist only over a narrow temperature range, decomposing above 1050 °C. Ab initio calculations using density functional theory (DFT) with the Hubbard U parameter indicated, consistent with experimental observations, that β is both the preferred phase at higher temperatures and high pressures. Interestingly, it was found by switching from B2 O3 –Na2 B4 O7 to H3 BO3 –Li2 CO3 flux using consistent high temperature solid state conditions for the synthesis of the α variant, β-ThB2 O5 could be generated. Comparison of their single crystal measurements showed this was identical to that obtained from HT/HP conditions. [ABSTRACT FROM AUTHOR]- Published
- 2022
- Full Text
- View/download PDF
20. Ultra-short-term wind power prediction method based on attention mechanism.
- Author
-
Hao, Yucheng, Huo, Xuesong, and Huang, Xianming
- Published
- 2024
- Full Text
- View/download PDF
21. Improving robustness in interdependent networks under intentional attacks by optimizing intra-link allocation.
- Author
-
Hao, Yucheng, Jia, Limin, Wang, Yanhui, and He, Zhichao
- Subjects
- *
SIMULATED annealing , *ALGORITHMS , *MULTICASTING (Computer networks) - Abstract
The interdependent network is particularly vulnerable to attacks on high degree nodes; therefore, the improvement of its robustness under intentional attacks has become an important topic. In this paper, we put forward a new metric to quantify the robustness of interdependent networks against intentional attacks and develop an improved simulated annealing algorithm (ISAA) to maximize this metric by optimizing the allocation of intra-links in subnetworks. Based on the comparison between the ISAA and existing algorithms, it is found that the algorithm presented in this paper is more effective to enhance the robustness of an interdependent scale-free network (ISFN). By applying the ISAA to ISFNs with different coupling preferences, there is a key finding that the robustness of the optimized ISFN is significantly stronger than that of the original ISFN. In particular, for cases of disassortative and random couplings, no sudden collapse occurs in optimized ISFNs. According to the analysis of the degree and the clustering coefficient, we find that the subnetwork of the optimized ISFN exhibits an onion-like structure. In addition, the ISFN whose robustness is enhanced to resist the attacks on high degree nodes is still robust to the intentional attacks concerning the betweenness and PageRank. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
22. A Comprehensive Analysis of Robustness in Interdependent Mechatronic Systems under Attack Strategies.
- Author
-
Xu, Gang, Wang, Yanhui, Hao, Yucheng, Jia, Limin, Yang, Zeyun, and He, Zhichao
- Subjects
SPECIAL functions ,SYSTEMS development - Abstract
With the development of mechatronic systems, different kinds of subsystems within them are highly correlated to each other due to the demand for the special function. To assess the robustness in the mechatronic system under various disturbances, we build an interdependent mechatronic system as an interdependent machine-electricity-communication network (IMECN) and adopt the improved cascading failure model where the occurrence of the failure propagation is decided by a proportion threshold δ. In order to fully explore the robustness under different disturbances, we develop attack strategies concerning nodes, edges, and interdependent links by considering measures for a node. Then, we also define the robustness metric to quantify the performance of IMECN during the entire attack process. The mass transit vehicle is taken as an example to investigate the impact of attack strategies on the robustness at different δ in a real-world mechatronic system. It is found that each subnetwork in this IMECN has a scale-free property. Based on simulation results, we obtain the most efficient attack strategies to remove nodes, edges, and interdependent links for different possibilities of triggering the failure propagation. In addition, we find that the attacks on nodes and interdependent links make IMECN more vulnerable compared with the ones on edges. This work provides theoretical insights into the comprehensive analysis of the robustness in interdependent mechatronic systems. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
23. New insight into the crystal chemistry of uranium and thorium borates, borophosphates and borate-phosphates
- Author
-
Hao, Yucheng, Alekseev, Evgeny V., Bosbach, Dirk, and Roth, Georg
- Subjects
actimides ,uranium ,phosphates ,oxo-borate ,ddc:620 ,borate-phosphates ,borophosphate ,thorium - Abstract
Dissertation, RWTH Aachen University, 2018; Aachen, 1 Online-Ressource (VII, 151 Seiten) : Illustrationen (2018). = Dissertation, RWTH Aachen University, 2018, This dissertation work is devoted to a systematic study of phase formation, their structures and properties in the AI/AII-U/Th-B-(P)-O system at different conditions. This workresulted in obtaining and characterizing around thirty novel uranium and thorium phases. Among them, several compounds uncovered novel structural topologies and differentphysicochemical properties. As an example, a lead uranyl borate (LUBO) is the first zeolitelikepolyborate material observed in the uranyl oxo-borates system. It possesses a uniqueboron-oxygen open framework structure with multi-intersection channels. This robustpolyborate framework demonstrates high thermal stability up to 690 °C.An introduction of [PO4]3- ortho-phosphates anions into the above mentioned oxo-boratesystem leads to the formation of complex novel uranium borophosphates, borate-phosphatesand phosphates. Among them, three novel highly porous uranyl borophosphates with uniquethree dimensional open framework structures have been structurally characterized. One ofthese phases, namely, Cs3(UO2)3[B(PO4)4]∙(H2O)0.5 has been proven to be a promising ionicexchanger. In the Th-B-O system, a new polymorphic modification of ThB2O5 has been isolated atambient pressure. A further investigation of the ThB2O5 phase diagram demonstrates veryunusual stability ranges of both polymorphic modifications. It has been shown that the natureof the flux plays a crucial role in the formation of both polymorphic modifications. The structures of all materials obtained in above mentioned systems have been determined by single crystal X-ray diffraction (SXRD) with a further characterization bypowder X-ray diffraction (PXRD), Infrared (IR)/Raman spectroscopy, thermogravimetricanalysis (TGA), differential scanning calorimetry (DSC), and energy dispersive X-rayspectroscopy (EDS). The computational studies of the phase formation in Th-B-O systemhave been performed using density functional theory (DFT).The results of the performed study clearly demonstrate that the counter cations play akey role in the structural formation of phases in studied systems. Consequently, the structures of compounds determine their physicochemical properties., Published by Aachen
- Published
- 2018
24. Modelling cascading failures in networks with the harmonic closeness.
- Author
-
Hao, Yucheng, Jia, Limin, Wang, Yanhui, and He, Zhichao
- Subjects
- *
CASCADE connections - Abstract
Many studies on cascading failures adopt the degree or the betweenness of a node to define its load. From a novel perspective, we propose an approach to obtain initial loads considering the harmonic closeness and the impact of neighboring nodes. Based on simulation results for different adjustable parameter θ, local parameter δ and proportion of attacked nodes f, it is found that in scale-free networks (SF networks), small-world networks (SW networks) and Erdos-Renyi networks (ER networks), there exists a negative correlation between optimal θ and δ. By the removal of the low load node, cascading failures are more likely to occur in some cases. In addition, we find a valuable result that our method yields better performance compared with other methods in SF networks with an arbitrary f, SW and ER networks with large f. Moreover, the method concerning the harmonic closeness makes these three model networks more robust for different average degrees. Finally, we perform the simulations on twenty real networks, whose results verify that our method is also effective to distribute the initial load in different real networks. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
25. Identifying key component in high-speed train based on complex network.
- Author
-
Wang, Baojin, Wang, Yanhui, and Hao, Yucheng
- Published
- 2020
- Full Text
- View/download PDF
26. Structural Variations in Complex Sodium Thorium Arsenates.
- Author
-
Hao, Yucheng, Alekseev, Evgeny V., Klepov, Vladislav V., and Yu, Na
- Subjects
- *
ARSENATES , *THORIUM , *BRIDGING ligands , *RAMAN spectroscopy , *SODIUM compounds , *OPTICAL properties - Abstract
Three new sodium thorium arsenates, Na5Th4(AsO4)7 (1), Na5Th(AsO4)3 (2), and Na4Th(As2O7)2 (3) were synthesized via a high temperature route and their structures and optical properties were studied. Compound 1 adopts a three‐dimensional structure that consists of tetrameric fundamental building blocks (FBBs) [Th4(AsO4)7]5–, which are constructed by ThO8 and ThO9 polyhedra. The structures of 2 and 3 are based on open frameworks with channels running along the a or c axes, respectively, which are occupied by Na cations. Structural relations between the structures of 2 and 3 have been discussed regarding their composition. In contrast to the other two compounds, the arsenate anions in the structure of 2 play role of bridging ligands and do not connect more than two Th atoms. Owing to this, the underlying net of this compound contains only Th nodes has a lon topology. The Raman spectra of 1 and 2 contain similar peaks due to As–O vibrations of AsO4 groups, while the Raman spectrum of 3 differs significantly owing to the presence of As–O–As bridging group in As2O74– anions. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
27. Highly porous aluminophosphates with unique three dimensional open framework structures from mild hydrothermal syntheses.
- Author
-
Hao, Yucheng, Pan, Yang, Lin, Yuan, He, Linbo, Ge, Guangjie, Ruan, Yu, Zhou, Haida, Xue, Yang, and Koirala, Kisan
- Subjects
- *
STRUCTURAL frames , *ALUMINOPHOSPHATES , *SECOND harmonic generation , *INFRARED spectroscopy , *HYDROTHERMAL synthesis , *TETRAHEDRA - Abstract
Crystals of three novel highly porous aluminophosphates, namely, α-NaAlPO4(OH) (1), β-NaAlPO4(OH) (2) and Al3.5P5.5O19 (3), were synthesized through mild hydrothermal methods. Interestingly, among these three porous aluminophosphates, 1 is polar, whereas the other compounds are nonpolar and centrosymmetric. The 3D framework structure of 1 is built from AlO6 octahedra and isolated PO4 tetrahedra. 1D Al-chains are linked by PO4 tetrahedra via sharing corners, forming the 3D framework, and 1D 8-membered ring (MR) tunnels were observed along the c-axis. Importantly, the material of 1 exhibits a moderate second harmonic generation (SHG) effect. 2 features a unique 3D anionic framework composed of corner-sharing [Al2O11] dimers and isolated PO4 tetrahedra. Three intersecting tunnels along the axes can be observed; the small tunnels along the c-axis are based on 4-MRs, whereas the two 6-MRs are along the a- and b-axes. The structure of 3 displays a unique 3D framework based upon face-sharing [Al2O9] dimers and isolated PO4 tetrahedra. The small tunnels along the a- and b-axes are based upon 4-MRs, whereas the 1D larger tunnels are based on 12-MRs along the c-axis. Here, the syntheses and topological structures of α-NaAlPO4(OH) (1), β-NaAlPO4(OH) (2) and Al3.5P5.5O19 (3) as well as their elemental analysis, thermal stability, infrared spectroscopy, UV-vis diffuse reflectance and nonlinear optical (NLO) properties are also reported. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
28. Two‐Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions.
- Author
-
Hao, Yucheng, Kegler, Philip, Albrecht‐Schmitt, Thomas E., Wang, Shuao, Dong, Qiang, and Alekseev, Evgeny V.
- Subjects
- *
BORATES , *URANINITE , *SYMMETRY groups , *RAMAN spectroscopy , *UNIT cell , *POLYHEDRA - Abstract
A systematic investigation of uranyl borates under different synthetic conditions resulted in five new 2D compounds, namely, (H3O)[(UO2)(BO3)], Li[(UO2)(BO3)]·(H2O), α‐K4[(UO2)5(BO3)2O4], β‐K4[(UO2)5(BO3)2O4] and K2.5[(UO2)5(BO3)2O2.5(OH)1.5]·(H2O)2.5. (H3O)[(UO2)(BO3)] and Li[(UO2)(BO3)]·(H2O) were obtained from hydrothermal reactions at 220 °C using the same mineralizer. Both materials possess the uranophane sheet topology with different symmetry of the unit cells. In the structure of (H3O)[(UO2)(BO3)] and Li[(UO2)(BO3)]·(H2O), UO7 pentagonal bipyramids share edges and vertexes with four BO3 planar triangles. α‐K4[(UO2)5(BO3)2O4] and β‐K4[(UO2)5(BO3)2O4] are polytypes. α‐K4[(UO2)5(BO3)2O4] was synthesized from a high‐temperature solid‐state reaction under ambient pressure; whereas β‐K4[(UO2)5(BO3)2O4] was obtained from a high‐temperature/high‐pressure (HT/HP) reaction. Both structures have an identical anion topology, but β‐K4[(UO2)5(BO3)2O4] crystallizes in space group with higher symmetry. In K2.5[(UO2)5(BO3)2O2.5(OH)1.5]·(H2O)2.5, which was obtained from a hydrothermal reaction, UO7 polyhedra share vertexes and edges with two independent BO3 triangles, forming the most complex uranyl borate layers among all five compounds. The different synthetic routes, novel topologies, thermal behavior and Raman spectra are discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
29. Na 3 [Al 2 B 6 P 4 O 22 (OH) 3 ](H 2 O) 6 and Na 3 [Al 2 BP 2 O 11 ](H 2 O) 0.5 : Two Remarkable Complex Aluminum Borophosphates.
- Author
-
Hao Y, Deng J, Chen C, Lin Y, Li H, Qin G, and Hu K
- Abstract
Two remarkable aluminum borophosphates (AlBPOs), namely, Na
3 [Al2 B6 P4 O22 (OH)3 ](H2 O)6 (denoted as ABPO1) and Na3 [Al2 BP2 O11 ](H2 O)0.5 (denoted as ABPO2), have been designed and prepared by low-temperature flux syntheses. The exceptional open framework structure of ABPO1 is formed by a unique microanionic network [Al2 B6 P4 O22 (OH)3 ]n 3- , which contains three types of 8-, 12-, and 16-membered ring (MR) tunnels. Interestingly, these tunnels are featured by a type of super-nanocage as large as ∼1.753 nm × 1.753 nm × 1.753 nm, which is the first example of AlBPOs containing extra-large cages. Importantly, it was found that Na+ can be partially exchanged by K+ , Sr2+ , Cd2+ , and Ni2+ , which means that it is a potential ionic exchanger for removing radionuclides and toxic cations. The structure of ABPO2 features a unique 2D anionic AlBPO layer composed of corner-sharing AlO6 octahedra and AlO4 , BO4 , and PO4 tetrahedra. To the best of our knowledge, this is the first example of both AlO6 octahedra and AlO4 tetrahedra being contained in the structure. 9-MRs can be observed along the b -axis. Herein, the syntheses and topological structures of ABPO1 and ABPO2 as well as elemental analysis, thermal stability, infrared spectroscopy, UV-vis diffuse reflectance, structural properties, and ionic exchange properties are also discussed.- Published
- 2024
- Full Text
- View/download PDF
30. First Potassium Fluoroaluminate Ionic Exchanger for Rapid and Selective Removal of Sr 2+ with High Capacity.
- Author
-
Hao Y, Chen Y, Cao X, Chen C, Xu M, Lin Y, Li H, and Hu K
- Abstract
90 Sr, as a typical artificial radionuclide, poses a serious threat to human health and the ecological environment. The selective removal of this radionuclide from industrial nuclear waste is crucial for our environment. Here we report a novel potassium fluoroaluminate, K2 [(AlF5 )H2 O], which was synthesized by a simple low-temperature one-step method. It adopts a 1D AlF6 -chain structure, which consists of exchangeable potassium ions in between the infinite chains of octahedral Al centers. As a remarkable inorganic ionic exchanger, K2 [(AlF5 )H2 O] has a high chemical stability (resistance of pH=~3-12) and thermal stability (≥~300 °C). It possesses an excellent adsorption selectivity (Kd =~6.1×104 mL ⋅ g-1 ) and a maximum adsorption capacity of qm =~120.32 mg ⋅ g-1 for Sr2+ . Importantly, it still keep a very good selectivity for Sr2+ ions even in the presence of competing Na+ , Mg2+ and Ca2+ aqueous solutions. K2 [(AlF5 )H2 O] is the first example of fluoroaluminate ionic exchange materials that can capture Sr2+ . This result opens up a new way to design and synthesize inorganic ionic exchangers for the selective removal of Sr2+ ions from radioactive waste water., (© 2024 Wiley-VCH GmbH.)- Published
- 2024
- Full Text
- View/download PDF
31. Understanding of the structural chemistry in the uranium oxo-tellurium system under HT/HP conditions.
- Author
-
Hao Y, Langer EM, Xiao B, Kegler P, Cao X, Hu K, Eichel RA, Wang S, and Alekseev EV
- Abstract
The study of phase formation in the U-Te-O systems with mono and divalent cations under high-temperature high-pressure (HT/HP) conditions has resulted in four new inorganic compounds: K
2 [(UO2 ) (Te2 O7 )], Mg [(UO2 ) (TeO3 )2 ], Sr [(UO2 ) (TeO3 )2 ] and Sr [(UO2 ) (TeO5 )]. Tellurium occurs as TeIV , TeV , and TeVI in these phases which demonstrate the high chemical flexibility of the system. Uranium VI) adopts a variety of coordinations, namely, UO6 in K2 [(UO2 ) (Te2 O7 ), UO7 in Mg [(UO2 ) (TeO3 )2 ] and Sr [(UO2 ) (TeO3 )2 ], and UO8 in Sr [(UO2 ) (TeO5 )]. The structure of K2 [(UO2 ) (Te2 O7 )] is featured with one dimensional (1D) [Te2 O7 ]4- chains along the c -axis. The Te2 O7 chains are further linked by UO6 polyhedra, forming the 3D [(UO2 ) (Te2 O7 )]2- anionic frameworks. In Mg [(UO2 ) (TeO3 )2 ], TeO4 disphenoids share common corners with each other resulting in infinite 1D chains of [(TeO3 )2 ]4- propagating along the a -axis. These chains link the uranyl bipyramids by edge sharing along two edges of the disphenoids, resulting in the 2D layered structure of [(UO2 ) (Te2 O6 )]2- . The structure of Sr [(UO2 ) (TeO3 )2 ] is based on 1D chains of [(UO2 ) (TeO3 )2 ]∞ 2- propagating into the c -axis. These chains are formed by edge-sharing uranyl bipyramids which are additionally fused together by two TeO4 disphenoids, which also share two edges. The 3D framework structure of Sr [(UO2 ) (TeO5 )] is composed of 1D [TeO5 ]4- chains sharing edges with UO7 bipyramids. Three tunnels based on 6-Membered rings (MRs) are propagating along [001] [010] and [100] directions. The HT/HP synthetic conditions for the preparation of single crystalline samples and their structural aspects are discussed in this work., Competing Interests: Authors EL, BX and PK were employed by Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich GmbH. Authors R-AE and EA were employed by Institute of Energy and Climate Research (IEK-9), Forschungszentrum Jülich GmbH. The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2023 Hao, Langer, Xiao, Kegler, Cao, Hu, Eichel, Wang and Alekseev.)- Published
- 2023
- Full Text
- View/download PDF
32. Understanding the role of flux, pressure and temperature on polymorphism in ThB 2 O 5 .
- Author
-
Hao Y, Murphy GL, Kegler P, Li Y, Kowalski PM, Blouin S, Zhang Y, Wang S, Robben L, Gesing TM, and Alekseev EV
- Abstract
A novel polymorph of ThB
2 O5 , denoted as β-ThB2 O5 , was synthesised under high-temperature high-pressure (HT/HP) conditions. Via single crystal X-ray diffraction measurements, β-ThB2 O5 was found to form a three-dimensional (3D) framework structure where thorium atoms are ten-fold oxygen coordinated forming tetra-capped trigonal prisms. The only other known polymorph of ThB2 O5 , denoted α, synthesised herein using a known borax, B2 O3 -Na2 B4 O7 , high temperature solid method, was found to transform to the β polymorph when exposed to conditions of 4 GPa and ∼900 °C. Compared to the α polymorph, β-ThB2 O5 has smaller molar volume by approximately 12%. Exposing a mixture of the α and β polymorphs to HT/HP conditions ex situ further demonstrated the preferred higher-pressure phase being β, with no α phase material being observed via Rietveld refinements against laboratory X-ray powder diffraction (PXRD) measurements. In situ heating PXRD measurements on α-ThB2 O5 from RT to 1030 °C indicated that α-ThB2 O5 transforms to the β variant at approximately 900 °C via a 1st order mechanism. β-ThB2 O5 was found to exist only over a narrow temperature range, decomposing above 1050 °C. Ab initio calculations using density functional theory (DFT) with the Hubbard U parameter indicated, consistent with experimental observations, that β is both the preferred phase at higher temperatures and high pressures. Interestingly, it was found by switching from B2 O3 -Na2 B4 O7 to H3 BO3 -Li2 CO3 flux using consistent high temperature solid state conditions for the synthesis of the α variant, β-ThB2 O5 could be generated. Comparison of their single crystal measurements showed this was identical to that obtained from HT/HP conditions.- Published
- 2022
- Full Text
- View/download PDF
33. Porous Uranyl Borophosphates with Unique Three-Dimensional Open-Framework Structures.
- Author
-
Hao Y, Murphy GL, Bosbach D, Modolo G, Albrecht-Schmitt TE, and Alekseev EV
- Abstract
Two novel alkali-metal uranyl borophosphates have been prepared and characterized for the first time, namely, K
5 (UO2 )2 [B2 P3 O12 (OH)]2 (OH)(H2 O)2 and K2 (UO2 )12 [B(H2 PO4 )4 ](PO4 )8 (OH)(H2 O)6 denoted as KUPB1 and KUPB2, respectively. KUPB1 was obtained hydrothermally at 220 °C and crystallizes in a monoclinic structure in the chiral space group P21 . The unit cell parameters of KUPB1 are a = 6.7623(2) Å, b = 19.5584(7) Å, c = 11.0110(4) Å, α = γ = 90°, β = 95.579(3)°, and V = 1449.42(8) Å3 . It features a unique three-dimensional (3D) open-framework structure, composed of two corner-sharing linked one-dimensional (1D) anionic borophosphates (BP), [B2 P3 O13 ]5- , along the a axis and uranyl phosphate (UP), [(UO2 )(PO4 )3 ]7- , chains along the c axis, further bridged by PO4 tetrahedra. Multi-intersectional channels can be observed within the structure, in which the largest 11-ring (11-R) tunnel size is ∼7.0 Å × 8.8 Å. Its simplified framework can be described as a new 4-nodal net topological type with a point symbol of {4.84 .10}{42 .6}2 {43 .62 .83 .102 }{82 .10}. By modification of the synthetic conditions of KUPB1 through an increase in the amount of H3 BO3 as flux 4-fold and a reduction of water as the reaction medium, the novel compound KUPB2 is generated. The unit cell parameters of KUPB2 are a = b = 21.8747(3) Å, c = 7.0652(2) Å, α = β = γ = 90°, and V = 3380.72(12) Å3 . KUPB2 crystallizes in a tetragonal structure in the polar space group I4̅2m, and its structure is based on a highly complex 3D framework, {(UO2 )12 [B(PO4 )4 ](PO4 )8 }9- , in which 1D 8-R UP [(UO2 )(PO4 )]- tubes can be observed along the c axis. The [(UO2 )(PO4 )]- tubes consist of three uranyl chains along the c axis, which are linked alternately by [PO4 ]3- tetrahedra. Those isolated 1D [(UO2 )(PO4 )]- tubes are further bridged through [(UO2 )4 B(PO4 )4 ]- clusters, forming an exceptional 3D open-framework structure. Its simplified cation network is a new 5-nodal net topological type such as {32 .43 .5.62 .7.8}8 {34 .45 .54 .62 }8 {4.62 .83 }4 {42 .6}4 {44 .62 }. Their facile hydrothermal synthetic routes, porous structure topology, thermal stability, and Raman spectroscopy properties are reported and discussed.- Published
- 2017
- Full Text
- View/download PDF
Catalog
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.