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Role of self-assembled molecules’anchoring groups for surface defect passivation and dipole modulation in inverted perovskite solar cells

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Chinese Physics B 2024年第10期33卷 108-115页

作者： Xiaoyu Wang Muhammad Faizan Kun Zhou Xinjiang Wang Yuhao Fu Lijun Zhang key laboratory of superhard {3. College of PhysicsJilin UniversityChangchun 130012China state key laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOECollege of Materials Science and EngineeringJilin UniversityChangchun 130012China

Inverted perovskite solar cells have gained prominence in industrial advancement due to their easy fabrication,low hysteresis effects,and high *** these advantages,their efficiency is currently limited by excessive defects and poor carrier transport at the perovskite-electrode interface,particularly at the buried interface between the perovskite and transparent conductive oxide(TCO).Recent efforts in the perovskite community have focused on designing novel self-assembled molecules(SAMs)to improve the quality of the buried ***,a notable gap remains in understanding the regulation of atomic-scale interfacial properties of SAMs between the perovskite and TCO *** understanding is crucial,particularly in terms of identifying chemically active anchoring *** this study,we used the star SAM([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)as the base structure to investigate the defect passivation effects of eight common anchoring groups at the perovskite-TCO *** findings indicate that the phosphonic and boric acid groups exhibit notable *** groups fulfill three key criteria:they provide the greatest potential for defect passivation,exhibit stable adsorption with defects,and exert significant regulatory effects on interface *** anchoring groups exhibit enhanced passivation capabilities for defect energy levels due to their superior Lewis base properties,which effectively neutralize local charges near *** various defect types,iodine vacancies are the easiest to passivate,whereas iodine-substituted lead defects are the most challenging to *** study provides comprehensive theoretical insights and inspiration for the design of anchoring groups in SAMs,contributing to the ongoing development of more efficient inverted perovskite solar cells.

关键词： inverted perovskite solar cell defect passivation self-assembled molecule interface engineering first-principles calculation

Pressure-induced emission(PIE)in halide perovskites toward promising applications in scintillators and solid-state lighting

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Aggregate 2024年第1期5卷 9-15页

作者： Wenya Zhao Guanjun Xiao Bo Zou state key laboratory of {3. materials College of PhysicsJilin UniversityChangchunChina

High-pressure chemistry has provided a huge boost to the development of scientific ***-induced emission(PIE)in halide perovskites is gradually showing its unique charm in both pressure sensing and optoelectronic device ***,the PIE retention of halide perovskites under ambient conditions is of great commercial ***,we mainly focus on the potential applications of PIE and PIE retention in metal halide perovskites for scintillators and solid-state *** on the performance requirements of scintillator and single-component white light-emitting diodes(WLEDs),the significance of PIE and PIE retention is critically clarified,aiming to design and synthesize materials used for high-performance optoelectronic *** perspective not only demonstrates promising applications of PIE in the fields of scintillators and WLEDs,but also provides potential applications in display imaging and anti-counterfeiting of PIE ***,solving the scientific disputes that exist under ambient conditions is also simply discussed as an outlook by introducing high-pressure dimension to produce PIE.

关键词： halide perovskites high pressure light-emitting diode pressure-induced emission scintillators solidstate lighting

Experimental demonstration of a photonic spiking neuron based on a DFB laser subject to side-mode optical pulse injection

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Science China(Information Sciences) 2024年第3期67卷 271-280页

作者： Shuiying XIANG Shuang GAO Yuechun SHI Yuna ZHANG Ziwei SONG Xingxing GUO Yahui ZHANG Yuxin MA Xiangfei CHEN state key laboratory of Integrated Service Networks Xidian University Yongjiang laboratory 3. College of Engineering and Applied Sciences Nanjing University

We proposed and experimentally demonstrated a simple and novel photonic spiking neuron based on a distributed feedback(DFB) laser subject to side-mode optical pulse injection(SMOPI). The DFB laser chip is designed and fabricated based on asymmetric equivalent π phase shift(π-EPS) with the reconstruction-equivalent-chirp(REC) technique. Under side-mode continuous-wave(CW) optical injection,excitability pulse was experimentally observed during the dominant mode switching process due to the injection-locked effect. Based on the transition between the excitability regime and the side-mode injection locking effect, the controllable and repeatable neuron-like spiking response can be realized when external stimulus pulses are electro-optically modulated on the CW optical carrier. The experimental results show that the spike threshold, temporal integration, and refractory period, which are important spike processing mechanisms in biological neurons, can all be achieved in the optically-injected DFB laser. The experimental findings are also verified numerically with a rate equation model that considers the SMOPI. To the best of our knowledge, this is the first experimental demonstration of a photonic spiking neuron based on a DFB laser subject to SMOPI, which holds promise for realizing large-scale photonic spiking neuron arrays for hardware photonic spiking neural network chips.

关键词： neuromorphic photonics photonic spiking neuron DFB laser side-mode optical pulse injections

Superconducting ternary hydrides: progress and challenges

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National Science Review 2024年第7期11卷 47-61页

作者： Wendi Zhao Xiaoli Huang Zihan Zhang Su Chen Mingyang Du Defang Duan Tian Cui Institute of High Pressure Physics School of Physical Science and Technology Ningbo University state key laboratory of {3. materials College of Physics Jilin University

Since the discovery of the high-temperature superconductors H3. and LaH10under high pressure,compressed hydrides have received extensive attention as promising candidates for room-temperature superconductors. As a result of current high-pressure theoretical and experimental studies, it is now known that almost all the binary hydrides with a high superconducting transition temperature（Tc） require extremely high pressure to remain stable, hindering any practical application. In order to further lower the stable pressure and improve superconductivity, researchers have started exploring ternary hydrides and had many achievements in recent years. Here, we discuss recent progress in ternary hydrides, aiming to deepen the understanding of the key factors regulating the structural stability and superconductivity of ternary hydrides, such as structural motifs, bonding features, electronic structures, electron–phonon coupling, ***, the current issues and challenges of superconducting ternary hydrides are presented, together with the prospects and opportunities for future research.

关键词： high pressure ternary hydrides conventional superconductivity electron–phonon coupling

Pressure effects on metal/covalent-organic frameworks:structural and optical properties

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Science China Chemistry 2024年第9期67卷 2890-2903页

作者： Yixuan Wang Yunfeng Yang Xinyi Yang Bo Zou Synergetic Extreme Condition High-Pressure Science Center State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun 130012China

Metal-organic frameworks(MOFs)and covalent organic frameworks(COFs)with highly ordered porous structure,tunable bandgap,large specific surface area and structural diversity,provide an appealing platform for the development of stimulus response,sensing,imaging and *** various tuning methods,pressure engineering using the diamond anvil cell is a highly powerful in-situ technique,which can efficiently modulate the structural and optical properties of MOFs/*** is beyond the realization of traditional chemical *** review outlines the research progress in the experimentoriented discovery of new phases or unique properties under high pressure,including phase transition,abnormal compression,photoluminescence(PL)discoloration and ***,the improvement of PL quantum yield in MOFs could be achieved by pressure-treated engineering and hydrogen-bonding cooperativity *** also propose and establish the relationship between structure and optical properties under high ***,the challenge and outlook of the current fields are *** hope that this review will supply guidance for comprehending the development of high-pressure MOF/COF-related research fields,and offer novel strategies for designing more high-performance MOF/COF materials to ultimately expand their applications.

关键词： metal/covalent-organic frameworks pressure engineering phase transition abnormal compressive behaviors piezochromic behaviors emission enhancement

Influence of Local Cation Order on Electronic Structure and Optical Properties of Cation-Disordered Semiconductor AgBiS_(2)

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Chinese Physics Letters 2024年第10期41卷 61-69页

作者： Xiaoyu Wang Muhammad Faizan Yuhao Fu Kun Zhou Yilin Zhang Xin He David J.Singh Lijun Zhang state key laboratory of {3. materials College of PhysicsJilin UniversityChangchun 130012China state key laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOECollege of Materials Science and EngineeringJilin UniversityChangchun 130012China Department of Physics and Astronomy University of MissouriColumbiaMissouri 65211-7010USA

Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and ***,the uncertain local order and structure pose a challenge for experimental and theoretical ***,it hinders the investigation of the effects of the diverse local atomic environments resulting from the site *** employ the special quasi-random structure method to perform first-principles research on connection between local site disorder and electronic/optical properties,using cationdisordered AgBiS_(2)(rock salt phase)as an *** predict that cation-disordered AgBiS_(2)has a bandgap ranging from 0.6 to 0.8 eV without spin-orbit coupling and that spin-orbit coupling reduces this by approximately 0.3.*** observe the effects of local structural features in the disordered lattice,such as the one-dimensional chain-like aggregation of cations that results in formation of doping energy bands near the band edges,formation and broadening of band-tail states,and the disturbance in the local electrostatic potential,which significantly reduces the bandgap and *** influence of these ordered features on the optical properties is confined to alterations in the bandgap and does not markedly affect the joint density of states or optical *** study provides a research roadmap for exploring the electronic structure of site-disordered semiconductor materials,suggests that the ordered chain-like aggregation of cations is an effective way to regulate the bandgap of AgBiS_(2),and provides insight into how variations in local order associated with processing can affect properties.

关键词： stability. structure ordered

Clathrate metal superhydrides under high-pressure conditions: enroute to room-temperature superconductivity

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National Science Review 2024年第7期11卷 33-46页

作者： Ying Sun Xin Zhong Hanyu Liu Yanming Ma key laboratory of Material Simulation Methods&Software of Ministry of Education College of Physics Jilin University state key laboratory of {3. materials College of PhysicsJilin University International Center of Future Science Jilin University

Room-temperature superconductivity has been a long-held dream of mankind and a focus of considerable interest in the research field of superconductivity. Significant progress has recently been achieved in hydrogen-based superconductors found in superhydrides（hydrides with unexpectedly high hydrogen contents） that are stabilized under high-pressure conditions and are not capturable at ambient *** particular interest is the discovery of a class of best-ever-known superconductors in clathrate metal superhydrides that hold the record for high superconductivity(e.g. Tc= 250–260 K for LaH10) among known superconductors and have great promise to be those that realize the long-sought room-temperature superconductivity. In these peculiar clathrate superhydrides, hydrogen forms unusual ‘clathrate’ cages containing encaged metal atoms, of which such a kind was first reported in a calcium hexa-superhydride（CaH6） showing a measured high Tcof 215 K under a pressure of 170 GPa. In this review, we aim to offer an overview of the current status of research progress on the clathrate metal superhydride superconductors,discuss the superconducting mechanism and highlight the key features（e.g. structure motifs, bonding features, electronic structure, etc.） that govern the high-temperature superconductivity. Future research direction along this line to find room-temperature superconductors will be discussed.

关键词： clathrate superhydrides high-temperature superconductivity high-pressure conditions crystal structure prediction

Ultrafast investigation of room temperature valley polarization in“optical bilayer”WS_(2)

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Science China(Technological Sciences) 2024年第1期67卷 91-97页

作者： ZHAO LeYi WANG Hai LIU TianYu LI FangFei ZHOU Qiang WANG HaiYu Synergetic Extreme Condition High-Pressure Science Center State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun 130012China state key laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China

Monolayer transition metal dichalcogenides(TMDCs)have become a promising platform in valleytronics due to possessing the regulatable valley degrees of ***,as a result of the rapid intervalley scattering,it is difficult to measure the PL valley polarization of monolayer TMDCs at room temperature,which limits their application in valleytronics ***,we report a room temperature photoluminescence(PL)valley polarization up to 3.73.in an“optical bilayer”WS_(2)formed by transferring monolayer WS_(2)onto flat Ag ***,in the transient absorption(TA)measurements,a remarkably long valley depolarization lifetime is ***,we demonstrate the valley properties of such“optical bilayer”WS_(2)resemble actual bilayer WS_(2),in which the robust valley polarization can be attributed to the phonons depletion effect and the blocked interlayer hopping *** peculiar valley features in“optical bilayer”WS_(2)provide a particularly simple method to enhance valley control at room temperature.

关键词： valleytronics optical bilayer transient absorption tungsten disulfide

Rapid and controllable in-situ self-assembly of main-group metal nanofilms for highly efficient CO_(2)electroreduction to liquid fuel in flow cells

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Nano Research 2024年第6期17卷 5718-5725页

作者： Miao Wang Huaizhu Wang Yaoda Wang Junchuan Liang Mengfei Zhu Jiarui Li Zuoxiu Tie Zhong Jin state key laboratory of Coordination Chemistry MOE Key Laboratory of Mesoscopic ChemistryMOE Key Laboratory of High Performance Polymer Materials and TechnologyJiangsu Key Laboratory of Advanced Organic MaterialsTianchang New Materials and Energy Technology Researc

The electrocatalytic reduction of CO_(2)is a promising pathway to generate renewable fuels and ***,its advancement is impeded by the absence of electrocatalysts with both high selectivity and ***,we present a scalable in-situ thermal evaporation technique for synthesizing series of Bi,In,and Sn nanofilms on carbon felt(CF)substrates with a high-aspect-ratio *** resulting main-group metal nanofilms exhibit a homogeneously distributed and highly exposed catalyst surface with ample active sites,thereby promoting mass transport and ad-/desorption of reaction *** from the unique fractal morphology,the Bi nanofilms deposited on CF exhibit optimal catalytic activities for CO_(2)electroreduction among the designed metal nanofilms electrodes,with the highest Faradaic efficiency of 96.9%for formate production at−1.3.V *** hydrogen electrode(RHE)in *** an industrially relevant current density of 221.4 mA·cm−2 in flow cells,the Bi nanofilms retain a high Faradaic efficiency of 81.7%at−1.1 V(***)and a good long-term stability for formate ***,a techno-economic analysis(TEA)model shows the potential commercial viability of electrocatalytic CO_(2)conversion into formate using the Bi nanofilms *** results offer a green and convenient approach for in-situ fabrication of stable and inexpensive thin-film catalysts with a fractal structure applicable to various industrial settings.

关键词： CO_(2)electroreduction non-noble metal nanofilms flow cells efficiency and selectivity techno-economic analysis