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Modulated noble metal/2D MOF heterostructures for improved hydrogen storage of MgH_(2)

Rare Metals 2024年第4期43卷 1672-1685页

作者： Zeng-Yi Li Li-Xian Sun Fen Xu Yu-Mei Luo Yong-Peng Xia Sheng Wei Chen-Chen Zhang ri-guang cheng Chao-Feng Ye Meng-Yuan Liu Ju-Lan Zeng Zhong Cao Hong-Ge Pan School of Material Science and Engineering Guilin University of Electronic TechnologyGuilin541004China School of Chemistry and Chemical Engineering Changsha University of Science and TechnologyChangsha410114China Institute of Science and Technology for New Energy Xi’an Technological UniversityXi’an710021China

The conjugation of external species with twodimensional(2D)materials has broad application *** this study,we have explored the potential of noble metal/2D MOF heterostructures in hydrogen ***,the MgH_(2)-Ni-MOF@Pd system has shown remarkable hydrogen desorption/sorption performances,starting to liberate hydrogen at 1810C,which is 2300C lower than that of pristine *** the catalytic effect of Ni-MOF@Pd,the dehydrogenation apparent activation energy of MgH2 is noticeably decreased from(133.5±17.5)to(34.58±1.87)kJ·moL^(-1),and the hydrogenation apparent activation energy is reduced from(70.41±7.43)to(25.78±4.64)kJ·moL^(-1),which is lowered by 63.4%.The fully-dehydrogenated MgH2-NiMOF@Pd composite rapidly uptakes hydrogen,with 2.62wt%at 100℃and 6.06 wt%at 150℃within 300 s,*** mechanism analysis of MgH2 catalyzed by Ni-MOF@Pd has revealed that the transformation of Mg_2Ni and Mg_2NiH_4 could act as a"hydrogen pump",providing numerous channels for fast diffusion and transport of hydrogen ***,in the dehydrogenation process,the element Pd reacts with MgH_(2)to form the MgPd alloy phase,which makes MgH_(2)take precedence to decompose through the Mg-Pd alloy rather than self-decomposition,further reducing thermal stability and improving de/hydrogenation *** synergistic effect of Mg-Pd,Mg_2Ni,and the special ultra-thin 2D sheet structure of the additive is the main reason for the good hydrogen storage property of MgH_(2)-Ni-MOF@*** findings provide inspiration for designing efficient multifunctional additives with unique morphologies to optimize the hydrogen desorption/sorption behaviors of hydrogen storage materials.

关键词： Hydrogen storage Magnesium hydride 2D metal-organic framework nanosheets Ni/Pd Synergistic catalysis

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Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile

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原子与分子物理学报 2025年第4期42卷 27-32页

作者： XU Jian-Qiang MA Zhao-Peng cheng Si LIU Zhi-Cong ZHU guang-Lai Department of Physics School of Physics and Electronic InformationAnhui Normal UniversityWuhu 241002China

The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this *** following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution *** results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient ***,the excess molar volume initially decreases,reaches a minimum,and then *** rules of radial distribution functions(RDFs)of characteristic atoms are *** increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then *** indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.

关键词： Pyridinium ionic liquids Thermodynamic properties Molecular dynamics simulation Radial distribution functions

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Double-port homodyne detection in a squeezed-state interferometry with a binaryoutcome data processing

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Communications in Theoretical Physics 2022年第12期74卷 45-51页

作者： Likun Zhou Pan Liu guang-ri Jin Key Laboratory of Optical Field Manipulation of Zhejiang Province and Physics Department of Zhejiang Sci-Tech University Hangzhou 310018China China Academy of Electronics and Information Technology Beijing 100041China

Performing homodyne detection at a single output port of a squeezed-state light interferometer and then separating the measurement quadrature into two intervals can realize super-resolving and super-sensitive phase measurements,which is equivalent to a binary-outcome ***,the single-port homodyne detection may lose almost part of the phase information,reducing the estimation ***,we propose a data-processing technique over the doubleport homodyne detection,where the two-dimensional measurement quadrature(p1,p2)has been divided into two *** such a binary-outcome measurement,we estimate the phase shift accumulated in the interferometer by inverting the output *** analyzing the full width at half maximum of the signal and the phase sensitivity,we show that both the resolution and the achievable sensitivity are better than that of the previous binary-outcome scheme.

关键词： quantum-enhancement phase estimation squeezed-state light interferometer homodyne detection

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A quantum search algorithm of two-dimensional convex hull

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Communications in Theoretical Physics 2021年第11期73卷 85-92页

作者： cheng Wang ri-Gui Zhou College of Information Engineering Shanghai Maritime UniversityShanghai201306China Research Center of Intelligent Information Processing and Quantum Intelligent Computing Shanghai201306China

Despite the rapid development of quantum research in recent years,there is very little research in computational *** this paper,to achieve the convex hull of a point set in a quantum system,a quantum convex hull algorithm based on the quantum maximum or minimum searching algorithm(QUSSMA)is ***,the novel enhanced quantum representation of digital images is employed to represent a group of point set,and then the QUSSMA algorithm and vector operation are used to search the convex hull of the point *** addition,the algorithm is simulated and compared with the classical *** is concluded that the quantum algorithm accelerates the classical algorithm when the Mpvalue of the convex hull point is under a certain condition.

关键词： quantum algorithm convex hull computational geometry quantum searching

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A Qualitative Analysis of Channel Wave Functions and Widths of the Low-lying States of ^(6)Li

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Chinese Physics Letters 2000年第1期17卷 10-12页

作者： BAO cheng-guang Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion AcceleratorLanzhou 730000 Department of Physics Zhongshan UniversityGuangzhou 510275

The structure of the channel wave functions of 6Li is studied *** is found that the widths of the low-lying resonances can be in general explained by using shell model wave ***,the width of the 3^(+) state is narrower than that anticipated by the shell modelf thus there is a room for the existence of other physical pictures to describe the very light nuclei.

关键词： functions wave narrow

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Inherent Nodal Structures in Doubly-Excited Intrashell States of Atoms

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Chinese Physics Letters 1999年第3期16卷 178-180页

作者： BAO cheng-guang Department of Physics Zhongshan UniversityGuangzhou 510275

Quantum mechanical systems are strongly constrained by ***,inherent nodal surfaces are imposed on the wave *** this paper,the inherent nodal surfaces existing in the doubly-excited intrashell states of atoms have been... 详细信息

关键词： functions. surfaces states

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Bose-Einstein Condensation in a Two-Dimensional System with Sixty Bosons

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Chinese Physics Letters 2000年第2期17卷 123-125页

作者： Bao cheng-guang Department of Physics Zhongshan UniversityGuangzhou 510275

A 60-boson system confined on a sphere has been qualitatively studied based on symmetry considerations. The low-lying spectrum is dominated by the ground rotation band based on the fullerene structure. In this band all the L=1 to L=5 states are found to be prohibited by symmetry. Therefore, there is a large gap lying between the ground state and the first excited state. The magnitude of this gap, which is associated with the critical temperature of Bose-Einstein condensation, has been evaluated. It is found that, the smaller the radius of the sphere of confinement, the higher the critical temperature.

关键词： temperature structure state.

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Background of Existence of the Two Low-Lying Adjacent 4^(+) Narrow Resonances in ^(16)O Nucleus and Other 4-Boson Systems

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Chinese Physics Letters 2001年第5期18卷 638-640页

作者： BAO cheng-guang Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion AcceleratorLanzhou 730000 Department of Physics Zhongshan UniversityGuangzhou 510275

Based on an analysis of the inherent nodal structures of wave functions of 4-boson systems,we found that the internal energy of the 4_(1)^(+) state should be lower because its structure can be optimized without suffering a strong constraint arising from symmetry(while other 1≤L≤3 states suffer from this kind of constraints).Furthermore,two superior structures favorable in binding are found to be allowed to be possessed by 4^(+) *** findings would lead to the appearance of two adjacent 4^(+) states,as a common feature,in the low-lying spectra of 4 boson systems.

关键词： allowed Existence symmetry

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Analysis of the Low-Lying Spectra of Five-Nucleon Systems

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Chinese Physics Letters 2000年第7期17卷 485-487页

作者： BAO cheng-guang Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion AcceleratorLanzhou 730000 Department of Physics Zhongshan UniversityGuangzhou 510275(mailing address)

The wavefunctions are decomposed into components. The inherent nodal structure and the stability of these components are investigated. It is assumed that the low-lying states would be dominated by the components without inherent nodal surfaces. Based on this assumption, the composition of the wave functions of the low-lying states of 5He has been suggested and the qualitative feature of the spectrum has been explained.

关键词： nodal assumed qualitative

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Inherent Nodal Structures of the Wavefunctions of a 4-Boson System

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Chinese Physics Letters 1997年第1期14卷 20-23页

作者： BAO cheng-guang Department of Physics Zhongshan UniversityGuangzhou 510275

The effect of a kind of nodal surfaces originated from the inherent symmetry on a 4-boson system has been *** was found that these surfaces determine the accessibility of specific geometric structures.

关键词： surfaces symmetry system

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