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Efficient passivation of DY center in CH_(3)NH_(3)PbBr_(3) by chlorine:Quantum molecular dynamics

Nano Research 2022年第3期15卷 2112-2122页

作者： Ran shi Wei-Hai Fang andrey s.vasenko Run Long Oleg V.Prezhdo College of Chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing 100875China National Research University Higher school of Economics(HsE)University 101000 MoscowRussia Donostia International Physics Center(DIPC) Paseo Manuel de Lardizabal 4San Sebastián/Donostia20018 Basque CountrySpain Department of Chemistry University of Southern CaliforniaLos AngelesCA 90089USA

MAPbBr_(3)(MA=CH_(3)NH_(3)^(+))doping with bismuth increases electric conductivity,charge carrier density and photostability,reduces toxicity,and expands light ***,Bi doping shortens excited-state lifetimes due to formation of DY−charge recombination *** nonadiabatic molecular dynamics and time-domain density functional theory,we demonstrate that the DY−center forms a deep,highly localized hole trap,which accelerates nonradiative relaxation ten-fold and is responsible for 90%of carrier *** trapping occurs by coupling between the valence band and the trap state,facilitated by the Br atoms surrounding the Bi *** of the DY−center with chlorines heals the local geometry distortion,eliminates the trap state,and makes the carrier lifetimes longer than even in pristine MAPbBr_(3).The decreased charge recombination arises from reduced nonadiabatic coupling and shortened coherence time,due to diminished electron–hole overlap around the passivated *** study demonstrates accelerated nonradiative recombination in Bi-doped MAPbBr_(3),suggests a strategy for defect passivation and reduction of nonradiative energy losses,and provides atomistic insights into unusual defect properties of metal halide perovskites needed for rational design of high-performance perovskite solar cells and optoelectronic devices.

关键词： Hybrid organic-inorganic perovskite DY−center and Cl passivation charge trapping and recombination nonadiabatic molecular dynamics time-domain density functional theory.

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Tuning the local electronic structure of oxygen vacancies over copper-doped zinc oxide for efficient CO_(2) electroreduction

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escience 2022年第5期2卷 518-528页

作者： Ke Wang Dongyu Liu Limin Liu Jia Liu XiaoFei Hu Ping Li Mingtao Li andrey s.vasenko Chunhui Xiao shujiang Ding Xi'an Key Laboratory of sustainable Energy Materials Chemistry School of ChemistryEnergy Storage Materials and Chemistry of Shaanxi University Engineering Research CenterXi'an Jiaotong University28 Xianning West RoadXi'an710049China International Research Center for Renewable Energy(IRCRE) State Key Laboratory of Multiphase Flow in Power Engineering(MFPE)Xi'an Jiaotong University28 Xianning West RoadXi'anShaanxi710049China HsE University 101000MoscowRussia College of Materials and Environmental Engineering Hangzhou Dianzi UniversityHangzhou310018PR China CNNC shaanxi Uranium Enrichment Co. Ltd.HanzhongChina

Oxygen vacancies in metal oxides can serve as electron trap centers to capture CO_(2) and lower energy barriers for the electrochemical CO_(2) reduction reaction(CO_(2)RR).Under aqueous electrolytes,however,such charge-enriched active sites can be occupied by adsorbed hydrogen(H∗)and lose their effectiveness for the CO_(2)***,we develop an efficient catalyst consisting of Cu-doped,defect-rich ZnO(Cu–ZnO)for the CO_(2)RR,which exhibits enhanced CO Faradaic efficiency and current density compared to pristine *** introduced Cu dopants simultaneously stabilize neighboring oxygen vacancies and modulate their local electronic structure,achieving inhibition of hydrogen evolution and acceleration of the CO_(2)*** a flow cell test,a current density of more than 45mAcm^(−2) and a CO Faradaic efficiency of>80%is obtained for a Cu–ZnO electrocatalyst in the wide potential range of−0.76V to−1.06V *** Hydrogen Electrode(RHE).This work opens up great opportunities for dopant-modulated metal oxide catalysts for the CO_(2)RR.

关键词： CO_(2)electroreduction Oxygen vacancy Heteroatom doping Metal oxide catalysts

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Merging bound states in the continuum in an open acoustic resonator

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science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 124-131页

作者： Lujun Huang Bin Jia Artem s.Pilipchuk sibo Huang Chen shen Almas F.sadreev Yong Li andrey E.Miroshnichenko school of Physics and Electronic sciences East China Normal University Institute of Acoustics Tongji University L.V.Kirensky Institute of Physics Department of Mechanical Engineering Rowan University school of Engineering and Technology University of New South Wales at Canberra

Bound states in the continuum （BICs） are perfectly localized resonances despite embedding in the continuum ***,an isolated BIC is very sensitive to the structure ***,we report merging acoustic BICs in a single open resonator,robust against the structure *** find that both symmetry-protected BIC and Friedrich-Wintgen BIC are sustained in a single coupled waveguide-resonator *** varying the height and length of the resonator,these two BICs move toward each other and merge into a single one at a critical *** to an individual BIC,the merged BIC is robust against fabrication error because its Q-factor is proportional to ΔL-4,whereΔL embodies the structure *** essence of this extraordinary phenomenon is perfectly explained by the two-and three-level approximations of the effective nonHermitian ***,we present direct experimental demonstrations of the moving and merging of BICs in a coupled 3D waveguide-resonator,which are evidenced by the vanishing of the linewidth of Fano resonance in the transmission *** results may find exciting applications in designing high-quality acoustic sources,sensors and filters.

关键词： acoustic resonances bound state in the continuum high-Q resonances

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Control of light scattering by nanoparticles with optically-induced magnetic responses

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Chinese Physics B 2014年第4期23卷 41-51页

作者：刘伟 andrey E. Miroshnichenko Yuri s. Kivshar College of Optoelectronic science and Engineering National University of Defence Technology Nonlinear Physics Center and Center for Ultrahigh-bandwidth Devices for Optical systems CUDOs) Research School of Physics and EngineeringAustralian National University

Conventional approaches to control and shape the scattering pattems of light generated by different nanostructures are mostly based on engineering of their electric response due to the fact that most metallic nanostructures support only electric resonances in the optical frequency range. Recently, fuelled by the fast development in the fields of metamaterials and plasmonics, artificial optically-induced magnetic responses have been demonstrated for various nanostructures. This kind of response can be employed to provide an extra degree of freedom for the efficient control and shaping of the scattering patterns of nanoparticles and nanoantennas. Here we review the recent progress in this research direction of nanoparticle scattering shaping and control through the interference of both electric and optically-induced magnetic responses. We discuss the magnetic resonances supported by various structures in different spectral regimes, and then summarize the original results on the scattering shaping involving both electric and magnetic responses, based on the interference of both spectrally separated （with different resonant wavelengths） and overlapped dipoles （with the same resonant wavelength）, and also other higher-order modes. Finally, we discuss the scattering control utilizing Fano resonances associated with the magnetic responses.

关键词： optically-induced magnetic response scattering control Mie resonance Fano resonance

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Gas-phase hydrogenation influence on defect behavior in titanium-based hydrogen-storage material

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Progress in Natural science:Materials International 2017年第1期27卷 105-111页

作者： Roman s.Laptev Viktor N.Kudiiarov Yuri s.Bordulev andrey A.Mikhaylov andrey M.Lider Department of General Physics Institute of Physics and Technology National Research Tomsk Polytechnic University

Titanium and its alloys are promising materials for hydrogen storage. However, hydrogen penetration accompanies the exploitation of hydrogen storage alloys. In particular, hydrogen penetration and accumulation in titanium alloys changes their mechanical properties. Therefore, the research works of such materials are mainly focused on improving the reversibility of hydrogen absorption-liberation processes, increasing the thermodynamic characteristics of the alloys, and augmenting their hydrogen storage capacity. In the process of hydrogenation-dehydrogenation, the formed defects both significantly reduce hydrogen storage capacity and can also be used to create effective traps for hydrogen. Therefore, the investigation of hydrogen interaction with structural defects in titanium and its alloys is very important. The present work, the hydrogen-induced formation of defects in the alloys of commercially pure titanium under temperature gas-phase hydrogenation（873 K） has studied by positron lifetime spectroscopy and Doppler broadening spectroscopy. Based on the evolution of positron annihilation parameters τ_f, τd, their corresponding intensities If, Idand relative changes of parameters s/s0and W/W0, the peculiarities of hydrogen interaction with titanium lattice defects were investigated in a wide range of hydrogen concentrations from 0.8at% to 32.0at%.

关键词： Titanium Hydrogen Lattice defects Positron annihilation Positron lifetime Doppler broadening

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Deep learning as a highly efficient tool for digital signal processing design

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Light(science & Applications) 2024年第11期13卷 2434-2435页

作者： andrey Pryamikov Prokhorov General Physics Institute of the Russian Academy of sciences MoscowRussia

The backpropagation algorithm,the most widely used algorithm for training artificial neural networks,can be effectively applied to the development of digital signal processing schemes in the optical fiber transmission *** signal processing as a deep learning framework can lead to a new highly efficient paradigm for cost-effective digital signal processing designes with low complexity.

关键词： signal digital fiber

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Rising complexity of the OAM beam structure as a Way to a higher data capacity

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Light(science & Applications) 2022年第8期11卷 1648-1649页

作者： andrey Pryamikov Prokhorov General Physics Institute of the Russian Academy of sciences MoscowRussia

standard vortex beams carrying different OAM (optical angular momentum) modes can provide independent communication channels for information transmission. However, they are unable to reach the capacity limit of a communication channel due to a rapid divergence of the beams with high values of the OAM order. The solution can be found by using multi-vortex geometric beams.

关键词： OAM communication vortex

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Gas fiber lasers may represent a breakthrough in creating powerful radiation sources in the mid-IR

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Light(science & Applications) 2022年第2期11卷 153-155页

作者： andrey Pryamikov Prokhorov General Physics Institute of the Russian Academy of sciences 38 Vavilov streetMoscowRussia

Continuous wave fiber laser created on the basis of silica glass negative curvature hollow core fiber filled with HBr make it possible to obtain efficient narrow linewidth mid-IR emission with a maximum laser power of about 500mW at wavelength of 4200 *** is for the first time that emission from a continuous wave fiber laser have been achieved at a wavelength of 4496 nm with the largest tuning range of 686 nm.

关键词： fiber tuning breakthrough

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studies of ultrasonic dehydration efficiency

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Journal of Zhejiang University-science A(Applied Physics & Engineering) 2011年第4期12卷 247-254页

作者： Vladimir N. KHMELEV andrey V. sHALUNOV Roman V. BARsUKOV Denis s. ABRAMENKO andrey N. LEBEDEV Biysk Technological Institute (Branch) Altai state Technical University

The aim of this investigation was to define the effectiveness of non-contact drying using ultrasonic vibrations. Disk radiators were used for carrying out experiments, and a special drying chamber was designed to provide resonant amplification of ultrasonic vibrations (from 130 to 150 dB). Drying of ginseng and other vegetables demonstrated that the application of ultrasonic vibrations reduced power inputs by 20% in comparison with convective drying. It also led to a decrease of 6% in final moisture content, if the duration of drying was constant. The level of intensification of ultrasonic drying was high (up to 50 g for 1 kg of drying material), which helped to lower the temperature of the drying agent and improve the quality of the dried products.

关键词： Drying Ultrasound Vibration system Drying chamber Processing (treatment) of agricultural products

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Revisiting cerebral endothelial cells in Alzheimer’s disease

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Neural Regeneration Research 2025年第10期20卷 2911-2912页

作者： Amira s.Hanafy Department of Neurosurgery University Hospital BonnBonnGermany

Alzheimer’s disease(AD)is the most common neurodegenerative disorder characterized by slow and progressive decline of cognitive and memory *** only approximately 5%of the cases,AD is familial,as often predisposed by genetic mutations(Hoogmartens et al.,2021),while sporadic AD accounts for approximately 95%of the *** amyloid cascade hypothesis is one of the fundamental hypotheses put out to explain AD pathogenesis as dysregulated homeostasis of amyloid-β(Aβ)peptides that leads to the accumulation of Aβplaques in the parenchyma,an anatomical hallmark of AD.

关键词： Alzheimer Aβ cerebral

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