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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 1-11页

作者： Zhiwen Zong Sainan Huai Tianqi Cai Wenyan Jin Ze Zhan Zhenxing Zhang Kunliang Bu Liyang Sui Ying Fei Yicong Zheng Shengyu Zhang Jianlan Wu Yi Yin zhejiang province key laboratory of quantum Technology and Device School of PhysicsZhejiang UniversityHangzhou 310027China Tencent quantum laboratory Shenzhen 518057China

As a valid tool for solving ground state problems,imaginary time evolution(ITE)is widely used in physical and chemical simulations.Different ITE-based algorithms in their quantum counterpart have recently been proposed and applied to some real systems.We experimentally realize the variational-based quantum imaginary time evolution(QITE)algorithm to simulate the ground state energy of hydrogen(H_2)and lithium hydride(Li H)molecules in a superconducting qubit system.The H_2 molecule is directly simulated using the 3-qubit circuit with unitary-coupled clusters(UCC)ansatz.We also combine QITE with the cluster mean-field(CMF)method to obtain an effective Hamiltonian.The Li H molecule is correspondingly simulated using the 3-qubit circuit with hardware-efficient ansatz.For comparison,the Li H molecule is also directly simulated using the 4-qubit circuit with UCC ansatz at the equilibrium point.All the experimental results show a convergence within 4 iterations,with high-fidelity ground state energy obtained.For a more complex system in the future,the CMF may allow further grouping of interactions to obtain an effective Hamiltonian,then the hybrid QITE algorithm can possibly simulate a relatively large-scale system with fewer qubits.

关键词： quantum computation quantum algorithm superconducting qubit

Granular Ionogel Particle Inks for 3D Printed Tough and Stretchable Ionotronics

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Research 2024年第1期2023卷 429-442页

作者： Yuan Yao Yue Hui Zhenhua Wang Hehao Chen Heng Zhu Nanjia Zhou key laboratory of 3D Micro/Nano Fabrication and Characterization of zhejiang province School of EngineeringWestlake UniversityHangzhou 310024Zhejiang ProvinceChina Institute of Advanced Technology Westlake Institute for Advanced StudyHangzhou 310024Zhejiang ProvinceChina School of Chemical Engineering and Advanced materials the University of AdelaideAdelaide 5005South AustraliaAustralia State key laboratory of Fluid Power&Mechatronic System Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceCenter for X-MechanicsDepartment of Engineering MechanicsZhejiang UniversityHangzhou 310027China

Ionogels have garnered great attention as promising soft conducting materials for the fabrication of flexible energy storage devices,soft actuators,and ionotronics.However,the leakage of the ionic liquids,weak mechanical strength,and poor manufacturability have greatly limited their reliability and applications.Here,we propose a new ionogel synthesis strategy by utilizing granular zwitterionic microparticles to stabilize ionic liquids.The ionic liquids swell the microparticles and physically crosslink microparticles via either electronic interaction or hydrogen bonding.Further introducing a photocurable acrylic monomer enables the fabrication of double-network(DN)ionogels with high stretchability(>600%)and ultrahigh toughness(fracture energy>10 kJ/m^(2)).The synthesized ionogels exhibit a wide working temperature of−60 to 90℃.By tuning the crosslinking density of microparticles and physical crosslinking strength of ionogels,we synthesize DN ionogel inks and print them into three-dimensional(3D)motifs.Several ionogelbased ionotronics are 3D printed as demonstrations,including strain gauges,humidity sensors,and ionic skins made of capacitive touch sensor arrays.Via covalently linking ionogels with silicone elastomers,we integrate the ionogel sensors onto pneumatic soft actuators and demonstrate their capacities in sensing large deformation.As our last demonstration,multimaterial direct ink writing is harnessed to fabricate highly stretchable and durable alternating-current electroluminescent devices with arbitrary structures.Our printable granular ionogel ink represents a versatile platform for the future manufacturing of ionotronics.

关键词： crosslinking utilizing gauge

Highly ordered crystallization ofα-FAPbl_(3) films via homogeneous seeds for efficient perovskite solar cells

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Journal of Energy Chemistry 2024年第7期94卷 625-634页

作者： Guohui Luo Linfeng Zhang Liyun Guo Xiuhong Geng Penghui Ren Yi Zhang Haihua Hu Xiaoping Wu Lingbo Xu Ping Lin Haiyan He Xuegong Yu Peng Wang Can Cui key laboratory of Optical Field Manipulation of zhejiang province Department of PhysicsZhejiang Sci-Tech UniversityHangzhou 310018ZhejiangChina zhejiang Provincial key laboratory of Fiber materials and Manufacturing Technology Zhejiang Sci-Tech UniversityHangzhou 310018ZhejiangChina Hangzhou City University Hangzhou 310015ZhejiangChina key laboratory of Solar Energy Utilization and Energy Saving Technology of zhejiang province Zhejiang Baima Lake Laboratory Co.Ltd.Hangzhou 310012ZhejiangChina State key laboratory of Silicon materials and School of materials Science and Engineering Zhejiang UniversityHangzhou 310027ZhejiangChina

Formamidine lead triodide(FAPbI_(3))perovskites have become the most promising photovoltaic materials for perovskite solar cells with record power conversion efficiency(PcE).However,random nucleation,phase transition,and lattice defects are still the key challenges limiting the quality of FAPbI_(3)films.Previous studies show that the introduction or adding of seeds in the precursor is effective to promote the nucleation and crystallization of perovskite films.Nevertheless,the seed-assisted approach focuses on heterogeneous seeds or hetero-composites,which inevitably induce a lattice-mismatch,the genera-tion of strain or defects,and the phase segregation in the perovskite films.Herein,we first demonstrate that high-quality perovskite films are controllably prepared usingα-and δ-phases mixed FAPbI_(3) micro-crystal as the homogeneous seeds with the one-step antisolvent method.The partially dissolved seeds with suitable sizes improve the crystallinity of the perovskite flm with preferable orientation,improved carrier lifetime,and increased carrier mobility.More importantly,theα-phase-containing seeds promote the formation of α-phase FAPbI_(3) films,leading to the reduction of residual lattice strain and the suppres-sion of I-ion migration.Besides,the adding of dimethyl 2,6-pyridine dicarboxylate(DPD)into the pre-cursor further suppresses the generation of defects,contributing to the PCE of devices prepared in air ambient being significantly improved to 23.75%,among the highest PCEs for fully air-processed FAPbl_(3) solar cells.The unpackaged target devices possess a high stability,maintaining 80%of the initial PCE under simulated solar illumination exceeding 8o0 h.

关键词： Perovskite solar cells FAPbI_(3) Homogeneous seeds Strain Phase stability

Deep insight of unique phase transition behaviors and mechanism in Zr_(2)Co-H isotope system with ultra-low equilibrium pressure

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Rare Metals 2024年第1期43卷 212-224页

作者： Yang Liu Pan-Pan Zhou Xue-Zhang Xiao Jia-Cheng Qi Jia-Peng Bi Tiao Ying Xing-Wen Feng Yan Shi Wen-Hua Luo Li-Xin Chen State key laboratory of Silicon materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Institute of materials China Academy of Engineering PhysicsMianyang 621907China key laboratory of Advanced materials and Applications for Batteries of zhejiang province Hangzhou 310013China

Efficient capture,safe storage and release of tritium from the international thermonuclear experimental reactor(ITER) reaction exhaust gas is a perplexing problem,and the development of an efficient tritium-getter material with ultra-low hydrogenation equilibrium pressure is considered as a reliable way.In this work,Zr_(2)Co alloy was selected as a tritium-getter material and prepared through induction levitation melting.Fundamental performance test results show that Zr_(2)Co exhibits an ultra-low hydrogenation equilibrium pressure of 3.22 × 10^(-6) Pa at 25℃ and excellent hydriding kinetics under a low hydrogen pressure of 0.005 MPa.Interestingly,unique phase transition behaviors were presented in Zr_(2)Co-H system.Specifically,Zr_(2)CoH_(5) formed by Zr_(2)Co hydrogenated at room temperature is initially decomposed into ZrH_(2) and ZrCoH_(3) at200 ℃.With the temperature increasing to 350 ℃,ZrCoH_(3)is dehydrogenated to ZrCo,and then ZrCo further reacts with ZrH_(2) at 650 ℃ to reform Zr_(2)Co and hydrogen.Among the staged phase transition pathways during dehydrogenation,the decomposition of Zr_(2)CoH_(5) occurs preferentially,which is well accordance with both the smallest reaction energy barrier and the maximum reaction spontaneity that are determined respectively from kinetics activation energy and thermodynamics Gibbs free energy.Furthermore,first principles calculation results indicate that the stronger binding of hydrogen in interstitial environments of ZrCoH_(3)and ZrH_(2) triggers the hydrogen-stabilized phase transformation of Zr_(2)CoH_(5).The unique phase transition mechanisms in Zr_(2)Co-H system can shed light on the further exploration and regulation of analogous staged phase transition of hydrogen storage materials.

关键词： Zr_(2)Co alloy Tritium-getter materials Ultralow equilibrium hydrogen pressure Phase transition mechanism

Electron-distribution control via Pt/NC and MoC/NC dual junction:Boosted hydrogen electro-oxidation and theoretical study

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Journal of Energy Chemistry 2024年第1期88卷 513-520,I0011页

作者： Feng Zhou Xiaofeng Ke Yihuang Chen Mei Zhao Yun Yang Youqing Dong Chao Zou Xi’an Chen Huile Jin Lijie Zhang Shun Wang key laboratory of Carbon materials of zhejiang province College of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325000ZhejiangChina zhejiang Engineering Research Center for Electrochemical Energy materials and Devices Institute of New Materials&Industry TechnologyWenzhou UniversityWenzhou 325000ZhejiangChina

The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to modulate its catalytic HOR performance,but at the cost of mass activity due to the coverage of modifiers on Pt surface.Herein,we constructed dual junctions'Pt/nitrogen-doped carbon(Pt/NC)andδ-MoC/NC to modify electronic structure of Pt via interfacial electron transfer to acquire Pt-MoC@NC catalyst with electron-deficient Pt nanoparticles,simultaneously endowing it with high mass activity and durability of alkaline HOR.Moreover,the unique structure of Pt-MoC@NC endows Pt with a high COtolerance at 1,000 ppm CO/H_(2),a quality that commercial Pt-C catalyst lacks.The theoretical calculations not only confirm the diffusion of electrons from Pt/NC to Mo C/NC could occur,but also demonstrate the negative shift of Pt d-band center for the optimized binding energies of*H,*OH and CO.

关键词： Hydrogen oxidation reaction Dual junctions CO-tolerance Platinum

GPa-level pressure-induced enhanced corrosion resistance in TiZrTaNbSn biomedical high-entropy alloy

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China Foundry 2024年第3期21卷 265-275页

作者： Xiao-hong Wang Yu-lei Deng Qiao-yu Li Zhi-xin Xu Teng-fei Ma Xing Yang Duo Dong Dong-dong Zhu Xiao-hong Yang key laboratory of Air-driven Equipment Technology of zhejiang province Quzhou UniversityQuzhou 324000ZhejiangChina School of materials Science and Engineering Taizhou UniversityTaizhou 318000ZhejiangChina

TiZrTaNb-based high-entropy alloys(HEAs)are research frontier of biomedical materials due to their high hardness,good yield strength,excellent wear resistance and corrosion resistance.Sn,as an essential trace element in the human body that plays a significant role in physiological process.It has stable chemical properties and a low elastic modulus.In this study,a new material,TiZrTaNbSn HEAs,was proposed as a potential biomedical alloy.The Ti_(35)Zr_(25)Ta_(15)Nb_(15)Sn_(10)biomedical high-entropy alloys(BHEAs)were successfully prepared through an arc melting furnace and then remelted using a German high-temperature and high-pressure apparatus under GPa-level(4 GPa and 7 GPa).The precipitation behavior of the needle-like HCP-Zr_(5)Sn_(3)phase that precipitates discontinuously at the grain boundary was successfully controlled.The phase constitution,microstructure,and corrosion resistance of the alloy were studied.The results show that the needle-like HCP-Zr_(5)Sn_(3)phase is eliminated and the(Zr,Sn)-rich nano-precipitated phase is precipitated in the microstructure under high pressure,which leads to the narrowing of grain boundaries and consequently improves the corrosion resistance of the alloy.In addition,the formation mechanisms of(Zr,Sn)-rich nanoprecipitates in BHEAs were discussed.More Zr and Sn dissolve in the matrix due to the effect of high pressure,during the cooling process,they precipitate to form a(Zr,Sn)-rich nano-precipitated phase.

关键词： biomedical HEAs precipitation grain boundary corrosion resistance TiZrTaNbSn

Efficient and bright broadband electroluminescence based on environmentfriendly metal halide nanoclusters

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Light(Science & Applications) 2024年第4期13卷 727-737页

作者： Dingshuo Zhang Meiyi Zhu Yifan He Qingli Cao Yun Gao Hongjin Li Guochao Lu Qiaopeng Cui Yongmiao Shen Haiping He Xingliang Dai Zhizhen Ye School of materials Science and Engineering State Key Laboratory of Silicon and Advanced Semiconductor MaterialsZhejiang University310027 HangzhouChina. Wenzhou key laboratory of Novel Optoelectronic and Nano materials and Engineering Research Centre of zhejiang province Institute of WenzhouZhejiang University325006 WenzhouChina. Wenzhou XINXINTAIJING Tech.Co.Ltd. 325006 WenzhouChina. Department of Chemistry Zhejiang Sci-Tech University310018 HangzhouChina

Broadband electroluminescence based on environment-friendly emitters is promising for healthy lighting yet remains an unprecedented challenge to progress.The copper halide-based emitters are competitive candidates for broadband emission,but their high-performance electroluminescence shows inadequate broad emission bandwidth of less than 90 nm.Here,we demonstrate efficient ultra-broadband electroluminescence from a copper halide(CuI)nanocluster single emitter prepared by a one-step solution synthesis-deposition process,through dedicated design of ligands and subtle selection of solvents.The CuI nanocluster exhibits high rigidity in the excitation state as well as dual-emissive modes of phosphorescence and temperature-activated delayed fluorescence,enabling the uniform cluster-composed film to show excellent stability and high photoluminescent efficiency.In consequence,ultra-broadband light-emitting diodes(LEDs)present nearly identical performance in an inert or air atmosphere without encapsulation and outstanding high-temperature operation performance,reaching an emission full width at half maximum(FWHM)of~120 nm,a peak external quantum efficiency of 13%,a record maximum luminance of~50,000 cd m^(−2),and an operating half-lifetime of 137 h at 100 cd m^(−2).The results highlight the potential of copper halide nanoclusters for next-generation healthy lighting.

关键词： halide cluster rigidity

Electronic structural engineering of bimetallic Bi-Cu alloying nanosheet for highly-efficient CO_(2) electroreduction and Zn-CO_(2) batteries

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Nano Research 2024年第5期17卷 3684-3692页

作者： Wenbo Wu Jiaye Zhu Yun Tong Shuangfei Xiang Pengzuo Chen School of Chemistry and Chemical Engineering Key Laboratory of Surface and Interface Science of Polymer Materials of Zhejiang ProvinceZhejiang Sci-Tech UniversityHangzhou 310018China

Regulating the electronic structure of Bi-based materials by alloying engineering is promising to promote the electrocatalytic activity,but it remains some challenges to be solved.In this study,a facile electrochemical co-deposition strategy is developed to synthesize the bimetallic Bi_(9)Cu_(1) alloy nanosheet on carbon cloth(Bi_(9)Cu_(1)/CC),which represents a novel self-supporting electrode for the electrocatalytic carbon dioxide(CO_(2))reduction reaction(CO_(2)RR).The Bi_(9)Cu_(1)/CC catalyst has achieved a remarkable catalytic performance with high Faradaic efficiencies(FE)of over 90%for formate at wide potentials from-0.7 to-1.2 V vs.reversible hydrogen electrode(RHE).Moreover,the reversible Zn-CO_(2) battery can be driven by Bi_(9)Cu_(1)/CC cathode with a largest power density of 1.4 mW·cm^(-2),and superior operating stability.The systematic characterizations and electrochemical results confirm that the improved catalytic active sites,the enhanced mass/charge transport and the optimal reaction kinetics of Bi nanosheet are realized for CO_(2)RR by Cu alloying.In situ attenuated total reflection infrared(ATR-IR)result confirms the bimetallic Bi-Cu active sites prefer to follow the^(*)OCHO conversion pathway.The density functional theory(DFT)calculations suggest that the Cu alloying contributes to the increased density of states near the Fermi surface of Bi and the optimized adsorption of^(*)OCHO intermediates on the Bi sites,resulting in the excellent catalytic performance.

关键词： electronic regulation bismuth nanosheet copper alloying CO_(2)electroreduction Zn-CO_(2)batteries

Twisted Integration of Complex Oxide Magnetoelectric Heterostructures via Water‑Etching and Transfer Process

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Nano-Micro Letters 2024年第1期16卷 360-369页

作者： Guannan Yang Guohua Dong Butong Zhang Xu Xu Yanan Zhao Zhongqiang Hu Ming Liu State key laboratory for Manufacturing Systems Engineering Electronic Materials Research LaboratoryKey Laboratory of the Ministry of EducationEngineering Research Center of Spin Quantum Sensor ChipsUniversities of Shaanxi ProvinceSchool of Electronic Science and EngineeringXi’an Jiaotong UniversityXi’an 710049People’s Republic of China

Manipulating strain mode and degree that can be applied to epitaxial complex oxide thin films have been a cornerstone of strain engineering.In recent years,lift-off and transfer technology of the epitaxial oxide thin films have been developed that enabled the integration of heterostructures without the limitation of material types and crystal orientations.Moreover,twisted integration would provide a more interesting strategy in artificial magnetoelectric heterostructures.A specific twist angle between the ferroelectric and ferromagnetic oxide layers corresponds to the distinct strain regulation modes in the magnetoelectric coupling process,which could provide some insight in to the physical phenomena.In this work,the La_(0.67)Sr_(0.33)MnO_(3)(001)/0.7Pb(Mg_(1/3)Nb_(2/3))O_(3)-0.3PbTiO_(3)(011)(LSMO/PMN-PT)heterostructures with 45.and 0.twist angles were assembled via water-etching and transfer process.The transferred LSMO films exhibit a fourfold magnetic anisotropy with easy axis along LSMO.A coexistence of uniaxial and fourfold magnetic anisotropy with LSMO[110]easy axis is observed for the 45°Sample by applying a 7.2 kV cm^(−1)electrical field,significantly different from a uniaxial anisotropy with LSMO[100]easy axis for the 0°Sample.The fitting of the ferromagnetic resonance field reveals that the strain coupling generated by the 45°twist angle causes different lattice distortion of LSMO,thereby enhancing both the fourfold and uniaxial anisotropy.This work confirms the twisting degrees of freedom for magnetoelectric coupling and opens opportunities for fabricating artificial magnetoelectric heterostructures.

关键词： Magnetoelectric heterostructures Twist angle Epitaxial lift-off Magnetic anisotropy Ferromagnetic resonance

Orbital-Ordering Driven Simultaneous Tunability of Magnetism and Electric Polarization in Strained Monolayer VCl_(3)

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Chinese Physics Letters 2024年第4期41卷 126-131页

作者：郭的坪王聪王侣锦陆赟豪吴骅张妍宁季威 Beijing key laboratory of Optoelectronic Functional materials&Micro-Nano Devices Department of PhysicsRenmin University of ChinaBeijing 100872China key laboratory of quantum State Construction and Manipulation(Ministry of Education) Renmin University of ChinaBeijing 100872China zhejiang province key laboratory of quantum Technology and Device State Key Laboratory of Silicon MaterialsDepartment of PhysicsZhejiang UniversityHangzhou 310027China laboratory for Computational Physical Sciences(MOE) State Key Laboratory of Surface Physicsand Department of PhysicsFudan UniversityShanghai 200433China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

Two-dimensional(2D)van der Waals magnetic materials have promising and versatile electronic and magnetic properties in the 2D limit,indicating a considerable potential to advance spintronic applications.Theoretical predictions thus far have not ascertained whether monolayer VCl_(3) is a ferromagnetic(FM)or anti-FM monolayer;this also remains to be experimentally verified.We theoretically investigate the influence of potential factors,including C_(3) symmetry breaking,orbital ordering,epitaxial strain,and charge doping,on the magnetic ground state.Utilizing first-principles calculations,we predict a collinear type-Ⅲ FM ground state in monolayer VCl_(3) with a broken C_(3) symmetry,wherein only the former two of three t_(2g)orbitals(a_(1g),e_(g2)^(π)and e_(g1)^(π))are occupied.The atomic layer thickness and bond angles of monolayer VCl_(3) undergo abrupt changes driven by an orbital ordering switch,resulting in concomitant structural and magnetic phase transitions.Introducing doping to the underlying Cl atoms of monolayer VCl_(3) without C_(3) symmetry simultaneously induces in-and out-of-plane polarizations.This can achieve a multiferroic phase transition if combined with the discovered adjustments of magnetic ground state and polarization magnitude under strain.The establishment of an orbital-ordering driven regulatory mechanism can facilitate deeper exploration and comprehension of magnetic properties of strongly correlated systems in monolayer VCl_(3).

关键词： monolayer symmetry orbital