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First-principles calculations to investigate Electronic, Optical, Mechanical, and transport characteristics of novel A₂BAuCl₆ (A = K/Rb/Cs;B = Sc/Y)

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Results in physics 2024年 66卷

作者： Israr, Nabeel Alresheedi, Faisal Saeed, Muhammad Rasool Chaudhry, Aijaz Awais Jehangir, Muhammad Murtaza, G. Materials Modeling Lab Department of Physics Islamia College Peshawar Pakistan Department of Physics College of Science Qassim University Buraidah 51452 Saudi Arabia Yangtze Delta Region Institute (Huzhou) University of Electronic Science and Technology of China Huzhou 313001 China School of Physics University of Electronic Science and Technology of China Chengdu 610054 China Department of Physics College of Science University of Bisha P.O. Box 551 Bisha 61922 Saudi Arabia

By utilizing FP-LAPW, the structure, electronic, optical, mechanical and Transport characteristic of A2BAuCl6 (A = K/Rb/Cs, B = Sc/Y) were examined by using DFT. The analysis to the band structure plot of the Halide d... 详细信息

By utilizing FP-LAPW, the structure, electronic, optical, mechanical and Transport characteristic of A₂BAuCl₆ (A = K/Rb/Cs, B = Sc/Y) were examined by using DFT. The analysis to the band structure plot of the Halide double perovskites (HDP's) being studied indicated the existence of indirect band-gaps. The compounds A₂BAuCl₆ (A = K/Rb/Cs, B = Sc/Y) exhibit anisotropic properties, except one compound as seen by their respective shear anisotropy readings of 0.629, 0.532, 1.006, 0.682, 0.803 and 0.977. The materials have inherent ductility, as indicated by their calculated Poisson's ratios in the range of 0.30 to 0.35. The examined (HDP's) materials appear to possess indirect band-gaps, as indicated by the band structure plots. The functional inorganic perovskites A₂BAuCl₆ (A = K/Rb/Cs, B = Sc/Y) haven't similar band-gap values, as determined using the TB-mBJ (modified Becke Johnson) and TB-mBJ + Soc (Spin orbital coupling) assumptions. The visible and ultraviolet domain have prominent peaks, suggesting potential applications of the compounds in solar cells. Moreover, examination of additional optical characteristics such as reflectivity, conductivity, electron energy loss, and absorption coefficients suggest that it possesses the inherent features of a semiconductor. The maximum figure of merit for all the student compounds is above 0.74. The simulated output forms the foundation for A₂BAuCl₆ (A = K/Rb/Cs, B = Sc/Y) and are of practical importance for multijunction solar cells. © 2024 The Author(s)

关键词： Elastic properties Electronic structure Gold based perovskites Optical properties Thermos power conversion

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Electro-deposited halloysite nanotube/polyaniline nanocomposites for energy storage applications

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International Journal of Thermofluids 2023年 20卷

作者： Aljawrneh, Bashar Albiss, Borhan Aldeen Abdel Rahman, Mohammad Ocak, Yusuf Selim Physics Department Al-Zaytoonah University of Jordan P.O. Box 130 Amman11733 Jordan Institute of Nanotechnology Jordan University of Science and Technology P.O. Box 3030 Irbid22110 Jordan Physics Department Faculty of Science Jordan University of Science and Technology P.O. Box 3030 Irbid22110 Jordan Smart-Lab Dicle University Diyarbakir Turkey

A nanocomposite (nanoclay/conductive polymer) was prepared by a template-free method for supercapacitor applications. Halloysite Nanotubes (HNTs) were used as a nanoclay material, and synthesized polyaniline (PANI) by ammonium persulfate-initiated polymerization was used as a conductive polymer. The HNTs/PANI nanocomposite was deposited on an indium tin oxide (ITO) coated glass to obtain a working electrode by an electrochemical deposition method. Morphological and structural examination of the HNTs/PANI nanocomposite proved that the PANI nanoparticles were attached to the HNTs surface. The structural analysis demonstrated that the PANI and HNTs crystal size significantly decreased in the HNTs/PANI as a result of the composition of PANI molecules with HNTs structure. The main characteristic bonds and functional groups of HNT, PANI, and HNTs/PANI nanocomposites were determined by FT-IR analysis. Using cyclic voltammetry (CV), the electrochemical performance of the HNTs//PANI nanocomposite electrode was investigated. The specific capacitance values were reported via the CV curves as 264, 230.22, 175.2, and 154.8 F/g at scan rates of 50, 100, 200, and 300 mV/s respectively. The results showed that the specific capacitance at the slow scan rates revealed higher maximum specific capacitance values. © 2023 The Author(s)

关键词： Electrochemical deposition

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Synthesis and Investigation of Toxicity and Photothermal Therapy of Nife2o4@Cu Core-Shell Nanoparticles

SSRN

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SSRN 2023年

作者： Novini, N. Yousefpour Jamshidi-Galeh, K. Shojaei, S.H. Reza Tohidi, T. Uyaver, Ş. Department of Physics Faculty of Science Sahand University of Technology Tabriz51335-1996 Iran Department of Physics Azarbaijan Shahid Madani University Tabriz Iran X-LAB Hasselt University Agoralaan Diepenbeek3590 Belgium Radiation Applications Research School Nuclear Science and Technology Research Institute Tehran Iran Faculty of Technology Marmara University Maltepe Istanbul34820 Turkey

In this study, NiFe2O4 and NiFe2O4@Cu nanoparticles (NPs) were synthesized based on the co-precipitation method. The formation of cubic NiFe2O4 and NiFe2O4@Cu NPs was confirmed by the Bragg reflections in XRD analysis. The SEM images showed the distribution of the irregularly shaped agglomeration of NiFe2O4 and NiFe2O4@Cu NPs. The size distributions of the NiFe2O4@Cu samples with two different core shell thicknesses were mostly about 10.39 and 13.31 nm. The superparamagnetic nature of the synthesized NPs was verified by VSM at room temperature, and the NPs’ saturation magnetization was found to be 37.04 emu/g, which was reduced after shielding the core. Furthermore, to investigate the cancer cell viability and cytotoxicity of the NPs on MCF7 breast cancer cells, different concentrations of NPs were examined. The response of the NiFe2O4@Cu NPs to the laser light irradiations for hyperthermia treatment indicated that these NPs can potentially be used for biomedical applications. © 2023, The Authors. All rights reserved.

关键词： Nickel compounds

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Adaptive reversible data hiding based on multiple block scanning ways

Journal of Network Intelligence

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Journal of Network Intelligence 2021年第2期6卷 365-379页

作者： Zheng, Wenbin Zhou, Ye Zhang, Tiancong Zhang, Chunyu Zou, Fumin Shi, Yunqing School of Electronic Electrical Engineering and Physics Fujian University of Technology Fuzhou350118 China School of Computer Science and Mathematics Fujian University of Technology Fuzhou350118 China College of information engineering Xizang Minzu university Xianyang712082 China Fujian Key Lab for Automotive Electronics and Electric Drive Fujian University of Technology 350118 China Department of Electrical and Computer Engineering New Jersey Institute of Technology NewarkNJ07103 United States

The advantage of the improved pixel value ordering (IPVO) lies in introduc-ing the positions of two pixels to calculate the difference value between these two pixels, so that each prediction error valued 0 or 1 can be embedded with one bit of data. How-ever, in IPVO, each prediction error at-1 provides no capacity but merely degrade the visual quality. To increase the number of prediction errors valued 1 while decreasing the number of prediction errors valued-1, 16 different block scanning ways are designed to obtain the optimal scanning way generating the large inverse number for each block. Besides, the single-layer embedding strategy of Weng et al.’s method is employed in the proposed method to adaptively select pixels of a block for carrying data. By combining 16 different block scanning ways with the single-layer embedding strategy, the proposed method not only improves the rate-distortion performance but also reduces the computational complexity. Extensive experiments have proved that the performance of our scheme is superior to those of several related schemes. © 2021, Taiwan Ubiquitous Information. All rights reserved.

关键词： Pixels

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Experimental Realization of a Quantum Refrigerator Driven by Indefinite Causal Orders

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Physical Review Letters 2022年第10期129卷 100603-100603页

作者： Xinfang Nie Xuanran Zhu Keyi Huang Kai Tang Xinyue Long Zidong Lin Yu Tian Chudan Qiu Cheng Xi Xiaodong Yang Jun Li Ying Dong Tao Xin Dawei Lu Shenzhen Institute for Quantum Science and Engineering and Department of Physics Southern University of Science and Technology Shenzhen 518055 China Guangdong Provincial Key Laboratory of Quantum Science and Engineering Southern University of Science and Technology Shenzhen 518055 China Research Center for Quantum Sensing Zhejiang Lab Hangzhou Zhejiang 311121 China

Indefinite causal order (ICO) is playing a key role in recent quantum technologies. Here, we experimentally study quantum thermodynamics driven by ICO on nuclear spins using the nuclear magnetic resonance system. We realize the ICO of two thermalizing channels to exhibit how the mechanism works, and show that the working substance can be cooled or heated albeit it undergoes thermal contacts with reservoirs of the same temperature. Moreover, we construct a single cycle of the ICO refrigerator based on the Maxwell’s demon mechanism, and evaluate its performance by measuring the work consumption and the heat energy extracted from the low-temperature reservoir. Unlike classical refrigerators in which the coefficient of performance (COP) is perversely higher the closer the temperature of the high-temperature and low-temperature reservoirs are to each other, the ICO refrigerator’s COP is always bounded to small values due to the nonunit success probability in projecting the ancillary qubit to the preferable subspace. To enhance the COP, we propose and experimentally demonstrate a general framework based on the density matrix exponentiation (DME) approach, as an extension to the ICO refrigeration. The COP is observed to be enhanced by more than 3 times with the DME approach. Our Letter demonstrates a new way for nonclassical heat exchange, and paves the way towards construction of quantum refrigerators on a quantum system.

关键词： Quantum simulation Quantum thermodynamics

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Symmetry breaking of large-amplitude parametric oscillations in few-layer graphene nanomechanical resonators

arXiv

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arXiv 2025年

作者： Yang, Chen Zhang, YuBin Lu, Heng Zhang, Ce Chen, FengNan Yan, Ying Xue, Fei Eichler, Alexander Moser, Joel School of Optoelectronic Science and Engineering Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University Suzhou215006 China Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province & Key Lab of Modern Optical Technologies of Education Ministry of China Soochow University Suzhou215006 China School of Physics Hefei University of Technology Hefei230601 China Laboratory for Solid State Physics ETH Zürich Zürich8093 Switzerland

Graphene nanomechanical resonators are well suited for the study of parametric oscillations. Their large frequency tunability and their pronounced nonlinearities enable an efficient modulation of their resonant frequencies. Here, we present measurements of the response of few-layer graphene nanomechanical resonators, each driven by a large parametric pump at frequency 2ω and a weak external drive at ω, where ω is set near the mechanical resonant frequency ω0. The pump actuates the resonator beyond the threshold for large-amplitude parametric oscillations, while the drive breaks the symmetry between the parametric phase states. By increasing and decreasing a gate voltage to detune ω0 in the presence of the pump and the drive, we observe a double hysteresis in the response. The double hysteresis reveals the existence of two possible large-amplitude vibrational states whose phase difference is nearly π radians. We deterministically prepare the resonator in either one of these states by cycling the gate voltage. We measure the stationary occupation probabilities of the two states in the presence of a white Gaussian force noise, and find that they strongly depend on the amplitude and on the phase of the external drive. The phase states of parametric oscillations with broken amplitude symmetry can be mapped to biased bi-modal degrees of freedom, such as Ising spins in an external magnetic field. Therefore, they hold promise as units of binary information. © 2025, CC BY.

关键词： Natural frequencies

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A Novel Material for Selective Separation of Mono-galactosyldiacylglycerols from Microalgae

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Journal of Ocean University of China 2021年第1期20卷 221-227页

作者： JIANG Junpeng YANG Miao CAO Xupeng WAN Huihui LIU Shuqin ZHONG Shijun YAN Jingyu XUE Song Biotechnology Department Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Division of Solar Energy Dalian National Laboratory of Clean EnergyDalian 116023China University of Chinese Academy of Sciences Beijing 100049China Faculty of Chemical Environmental and Biological Science and TechnologyAnalytical CenterDalian University of TechnologyDalian 116024China School of Bioengineering Dalian University of TechnologyDalian 116024China Key Lab of Separation Science for Analytical Chemistry Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Monogalactosyldiacylglycerols(MGDGs)have potential applications in food products,cosmetics and *** from microalgae with high amounts of polyunsaturated fatty acids(PUFAs)have potential functions,which arise the interest of the *** were prepared by silica gel column chromatography with the appropriate mobile phase,while due to the similarity to molecular structure of MGDGs,digalactosyldiacylglycerols(DGDGs)were the most difficult impurities to separate during the extraction process of MGDGs from Nannochloropsis oceanica IMET1 and Arthrospira *** order to obtain MGDGs from microalgae using low toxic solvent system,a novel material Click thiol-ene cysteine(Click TE-Cys)was employed to achieve its selective separation by differentiation of the hydrophilic *** mixture of MGDGs and DGDGs standards were separated from each other by Click TE-Cys solid phase extraction(SPE),which was further confirmed by the result of *** molecular interaction of MGDGs and DGDGs with Click TE-Cys demonstrated that DGDGs had more hydrogen bonds with Click TE-Cys material,which might cause a higher hydrophilic *** this study,the Click TE-Cys material exhibited higher hydrophilicity with DGDGs and effectively separated MGDGs from 4 species microalgae by‘flow-through'mode using ethanol as mobile phase.

关键词： microalgae MGDGs DGDGs selective separation polarity

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Super-Heisenberg scaling in a triple point criticality

arXiv

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arXiv 2024年

作者： Cheng, Jia-Ming Zhang, Yong-Chang Zhou, Xiang-Fa Zhou, Zheng-Wei Xi’an Microelectronics Technology Institute Xi’an710065 China MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Shaanxi Key Laboratory of Quantum Information and Quantum Optoelectronic Devices School of Physics Xi’an Jiaotong University Xi’an710049 China CAS Key Lab of Quantum Information University of Science and Technology of China Hefei230026 China Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China Hefei230026 China

We investigate quantum-enhanced metrology in a triple point criticality and discover that quantum criticality does not always enhance measurement precision. We have developed suitable adiabatic evolution protocols to effectively restrain excitations, which could accelerate the adiabatic evolutions and lead to an exponential super-Heisenberg scaling. This scaling behavior is quite valuable in practical parameter estimating experiments with limited coherence time. Dissipation can strengthen the super-Heisenberg scaling until decoherence increases to dominate in the dissipative dynamics. Additionally, measurement precisions beyond Heisenberg scaling can be experimentally achieved in the trapped ion system. Our findings strongly indicate that criticality-enhanced metrology can indeed significantly enhance measurement precisions to a super-Heisenberg scaling when combining a triple point and beneficial parameter modulations, which will be conducive to the exploration of other super-Heisenberg scaling and their applications. © 2024, CC BY-NC-ND.

关键词： Criticality (nuclear fission)

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Broadband Plasmonic Absorption of C-Shape Groove Array for Hot-Electron Detection

SSRN

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SSRN 2023年

作者： Sun, Ke Zhai, Yusheng Li, Jiaqi Dong, Zheng-Gao Lu, Weibing School of Physics Southeast University Nanjing211189 China Nanjing University of Science and Technology Nanjing210094 China Center for Flexible RF Technology State Key Lab of Millimeter waves School of Information Science and Engineering Southeast University Nanjing210096 China

In this paper, a C-shape groove array on gold/silicon/aluminum layers is proposed and numerically investigated. The mode coupling of plasmon resonances in the same structure leads to an absorption broadband. We found that a simulated absorption broadband (from 1390nm to 1507nm) above 90% was obtained by controlling the geometric parameters. Furthermore, the origin of the absorption broadband is studied, and the enhanced effects for hot electron detection is investigated. Different from other reported results, our proposed structure can bring an absorption broadband in a simple structure, and can be an easy manufacturing method for the hot-electron detection. © 2023, The Authors. All rights reserved.

关键词： Hot electrons

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TopoTB: A software package for calculating the electronic structure and topological properties of the tight-binding model

arXiv

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arXiv 2024年

作者： Huang, Xinliang Zheng, Fawei Hao, Ning Anhui Province Key Laboratory of Low-Energy Quantum Materials and Devices High Magnetic Field Laboratory HFIPS Chinese Academy of Sciences Anhui Hefei230031 China Science Island Branch of Graduate School University of Science and Technology of China Anhui Hefei230026 China School of Physics Beijing Institute of Technology Beijing100081 China Beijing Key Lab of Nanophotonics & Ultrafine Optoelectronic Systems School of Physics Beijing Institute of Technology Beijing100081 China

We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive user interface that enables the tuning of model parameters for fitting the target energy bands in a WYSIWYG way. In addition, TopoTB also includes functionalities for processing results from Density Functional Theory calculations. The outputs of TopoTB are rich and readable, and they can be displayed in various styles. These features make TopoTB a useful tool for the theoretical study of materials. Copyright © 2024, The Authors. All rights reserved.

关键词： Electronic structure

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