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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 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

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

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Exploring charge and spin fluctuations in infinite-layer cuprate SrCuO_(2)from a phonon perspective

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Science China(physics,Mechanics & Astronomy) 2024年第8期67卷 159-167页

作者： Xin Du Pei-Han Sun Ben-Chao Gong Jian-Feng Zhang Zhong-Yi Lu Kai Liu department of physics and Beijing key laboratory of Opto-electronic Functional Materials&Micro-nano Devices Renmin University of ChinaBeijing 100872China department of physics School of ScienceJiangsu University of Science and TechnologyZhenjiang 212100China Institute of physics Chinese Academy of SciencesBeijing 100190China key laboratory of Quantum state Construction and Manipulation(Ministry of Education) Renmin University of ChinaBeijing 100872China

The infinite-layer cuprate ACu O_(2)(A=Ca,Sr,Ba)possesses the simplest crystal structure among numerous cuprate superconductors and can serve as a prototypical system to explore the unconventional *** on the first-principles electronic structure calculations,we have studied the electronic and magnetic properties of the infinite-layer cuprate SrCuO_(2)from a phonon *** find that interesting fluctuations of charges,electrical dipoles,and local magnetic moments can be induced by the atomic displacements of phonon modes in SrCuO_(2)upon the hole *** all optical phonon modes of SrCuO_(2)in the antiferromagnetic Néel state,only the A_(1g)mode that involves the full-breathing O vibrations along the Cu-O bonds can cause significant fluctuations of local magnetic moments on O atoms and dramatic charge redistributions between Cu and O ***,due to the atomic displacements of the A_(1g)mode,both the charge fluctuations on Cu and the electrical dipoles on O show a dome-like evolution with increasing hole doping,quite similar to the experimentally observed behavior of the superconducting T_(c);in comparison,the fluctuations of local magnetic moments on O display a monotonic enhancement along with the hole *** analyses indicate that around the optimal doping,there exists a large softening in the frequency of the A_(1g)phonon mode and a van Hove singularity in the electronic structure close to the Fermi level,suggesting potential electron-phonon *** work reveals the important role of the full-breathing O phonon mode playing in the infinite-layer SrCuO_(2),which may provide new insights in understanding the cuprate superconductivity.

关键词： first-principles calculations cuprate superconductors phonon charge and spin fluctuations

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Dynamic response of a thermal transistor to time-varying signals

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Chinese physics B 2024年第5期33卷 13-19页

作者：阮琴丽刘文君王雷 department of physics Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devicesand Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education)Renmin University of ChinaBeijing 100872China

Thermal transistor,the thermal analog of an electronic transistor,is one of the most important thermal devices for microscopic-scale heat *** is a three-terminal device,and the heat current flowing through two terminals can be largely controlled by the temperature of the third *** response plays an important role in the application of electric devices and also thermal devices,which represents the devices’ability to treat fast varying *** this paper,we systematically study two typical dynamic responses of a thermal transistor,i.e.,the response to a step-function input(a switching process)and the response to a square-wave *** role of the length L of the control segment is carefully *** is revealed that when L is increased,the performance of the thermal transistor worsens *** the relaxation time for the former process and the cutoff frequency for the latter one follow the power-law dependence on L quite well,which agrees with our analytical ***,the detailed power exponents deviate from the expected values *** implies the violation of the conventional assumptions that we adopt.

关键词： phonon phononics thermal transistor dynamic response heat conduction

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Ferromagnetism and insulating behavior with a logarithmic temperature dependence of resistivity in Pb_(10-x)Cux(PO_(4))_(6)O

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Science China(physics,Mechanics & Astronomy) 2024年第1期67卷 106-111页

作者： Yuhang Zhang Cong Liu Xiyu Zhu Hai-Hu Wen Center for Superconducting physics and Materials National Laboratory of Solid State Microstructures and Department of PhysicsNational Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

Recent claim of discovering above-room-temperature superconductivity(Tc≈400 K)at ambient pressure in copper doped apatite Pb10(PO_(4))_(6)O has stimulated world-wide enthusiasm and impulse of motion.A lot of follow-up works have been carried out with controversial *** check whether superconductivity is really present or absent in the material,we need samples which should have a rather pure phase of Pb_(10-x)Cux(PO_(4))_(6)*** we report the characterization results from the Pb_(10-x)Cux(PO_(4))_(6)O with a fraction of about 97 wt.%inferred from the fitting to the X-ray diffraction pattern,if assuming Cu2S as the only *** resistivity measurements show that it is a semiconductor characterized roughly by a ln(1/T)temperature dependence in wide temperature region without trace of *** measurements show that it has a general ferromagnetic signal with a weak superparamagnetic *** grains of the sample show clear interactions with a Nb Fe B *** detected Cu concentration is much lower than the expected nominal *** results show the absence of metallicity and superconductivity in Pb_(10-x)Cux(PO_(4))_(6)O at ambient pressure,and suggest the presence of strong correlation effect.

关键词： superconductivity Pb10(PO4)6O ferromagnetic correlation effect

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Tunable artificial plasmonic nanolaser with wide spectrum emission operating at room temperature

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Chinese physics B 2024年第5期33卷 466-471页

作者：周鹏郭佳琦梁琨金磊梁熊玉李俊强邓绪彦秦建宇张家森于丽 state key laboratory of Information Photonics and Optical Communications School of ScienceBeijing University of Posts and TelecommunicationsBeijing 100876China state key laboratory for Artificial Microstructures and Mesoscopic physics School of PhysicsPeking UniversityBeijing 100876China Peking University Yangtze Delta Institute of Optoelectronics Peking UniversityNantong 226010China

With the rapid development of information and communication technology,a key objective in the field of optoelectronic integrated devices is to reduce the nano-laser size and energy *** nanolasers are unable to exceed the diffraction limit and typically exhibit low modulation rates of several *** contrast,plasmonic nanolaser utilizes highly confined surface plasmon polariton(SPP)mode that can exceed diffraction limit and their strong Purcell effect can accelerate the modulation rates to several ***,we propose a parametrically tunable artificial plasmonic nanolasers based on metal–insulator–semiconductor–insulator–metal(MISIM)structure,which demonstrates its ability to compress the mode field volume toλ/*** the pump power increases,the proposed artificial plasmonic nanolaser exhibits 20-nm-wide output ***,we investigate the effects of various cavity parameters on the nanolaser’s output threshold,offering potentials for realizing low-threshold artificial plasmonic ***,we observe a blue shift in the center wavelength of the nanolaser output with thinner gain layer thickness,predominantly attributed to the increased exciton–photon coupling *** work brings inspiration to several areas,including spaser-based interconnects,nano-LEDs,spontaneous emission control,miniaturization of photon condensates,eigenmode engineering of plasmonic nanolasers,and optimal design driven by artificial intelligence(AI).

关键词： surface plasmon polaritons nanolaser ultrafast MISIM

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On the Factors Influencing the High Stretch-Flangeability of a Low-Density 1180 MPa Fe-Mn-Al-C-Nbδ-QP Steel

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1291-1300页

作者： Dan‑Dan Cui Peng Chen Peng‑Fei Wang Xiao‑Wu Li department of Materials physics and Chemistry School of Materials Science and Engineeringand Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education)Northeastern UniversityShenyang 110819China state key laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China

Low-densityδ-quenching and partitioning(δ-QP)steels with excellent strength and ductility have been recently ***,there are still rare reports on the formability of δ-QP steels,which are critical for satisfying the manufacture of structural parts during the application in automotive *** the present work,an 1180 MPa Fe–Mn–Al–C–Nbδ-QP steel with a high ductility was adopted for the stretch–flangeability ***δ-QP steel was developed by separated quenching and partitioning processes.A good hole expansion ratio(HER)of 34.9±0.9%was obtained in the quenched steel,but it has been further increased to 52.2%by the tempering *** improved stretch–flangeability was attributed to the enhanced austenite stability and deformation *** the one hand,the stability of austenite was increased by carbon partitioning during tempering,which reduced crack possibility via the suppression of the fresh martensite *** the other hand,the tempering treatment released the internal stress caused by martensitic transformation and reduced the difference in strength among different phases,resulting in an increase in the resistance to crack initiation and propagation.

关键词： Hole expansion ratio Low-densityδ-quenching and partitioning(δ-QP)steel Stretch-flangeability Austenite stability Deformation uniformity

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Application of machine learning in perovskite materials and devices:A review

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Journal of Energy Chemistry 2024年第7期94卷 254-272页

作者： Ming Chen Zhenhua Yin Zhicheng Shan Xiaokai Zheng Lei Liu Zhonghua Dai Jun Zhang Shengzhong(Frank)Liu Zhuo Xu School of Electric Power Civil Engineering and ArchitectureCollege of Physics and Electronics EngineeringState Key Laboratory of Quantum Optics and Quantum Optics DevicesShanxiUniversityTaiyuan030006ShanxiChina key laboratory of Applied surface and Colloid Chemistry National Ministry of EducationShanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119ShaanxiChina state key laboratory of Catalysis Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Metal-halide hybrid perovskite materials are excellent candidates for solar cells and photoelectric *** recent years,machine learning(ML)techniques have developed rapidly in many fields and provided ideas for material discovery and *** can be applied to discover new materials quickly and effectively,with significant savings in resources and time compared with traditional experiments and density functional theory(DFT)*** this review,we present the application of ML in per-ovskites and briefly review the recent works in the field of ML-assisted perovskite ***,the advantages of perovskites in solar cells and the merits of ML applied to perovskites are ***,the workflow of ML in perovskite design and some basic ML algorithms are ***,the applications of ML in predicting various properties of perovskite materials and devices are ***,we propose some prospects for the future development of this *** rapid devel-opment of ML technology will largely promote the process of materials science,and ML will become an increasingly popular method for predicting the target properties of materials and devices.

关键词： Machine learning Perovskite Materials design Bandgap engineering Stability Crystal structure

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Conceptual transition from molecular to atomic: unleashing a new era in hydrogen therapy for chronic disease

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National Science Review 2024年第4期11卷 17-18页

作者： Zhigang Zou Eco-materials and Renewable Energy Research Center (ERERC) Jiangsu Key Laboratory for Nano Technology National Laboratory of Solid State Microstructures and Department of PhysicsNanjing University

The dysregulated overexpression of reactive oxygen and nitrogen species (RONS)intricately links to the occurrence and development of diverse chronic diseases[1–3]. Hydrogen therapy stands out as a promising treatment methodology recognized for effectively mitigating RONS and maintaining intracellular redox equilibrium, thereby yielding therapeutic benefits [4,5].

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Broadband and fabrication-tolerant 3-dB couplers with topological valley edge modes

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Light(Science & Applications) 2024年第8期13卷 1623-1630页

作者： Guo-Jing Tang Xiao-Dong Chen Lu Sun Chao-Heng Guo Meng-Yu Li Zhong-Tao Tian Hou-Hong Chen Hong-Wei Wang Qi-Yao Sun Ying-Di Pan Xin-Tao He Yi-Kai Su Jian-Wen Dong School of physics&state key laboratory of Optoelectronic Materials and Technologies Sun Yat-sen UniversityGuangzhou 510275China state key laboratory of Advanced Optical Communication Systems and Networks Department of Electronic EngineeringShanghai Jiao Tong UniversityShanghai 200240China

3-dB couplers,which are commonly used in photonic integrated circuits for on-chip information processing,precision measurement,and quantum computing,face challenges in achieving robust performance due to their limited 3-dB bandwidths and sensitivity to fabrication *** address this,we introduce topological physics to nanophotonics,developing a framework for topological 3-dB *** couplers exhibit broad working wavelength range and robustness against fabrication dimensional *** leveraging valley-Hall topology and mirror symmetry,the photonic-crystal-slab couplers achieve ideal 3-dB splitting characterized by a wavelength-insensitive scattering *** analysis confirms the superiority on broad bandwidth of 48 nm and robust splitting against dimensional errors of 20 *** further propose a topological interferometer for on-chip distance measurement,which also exhibits robustness against dimensional *** extension of topological principles to the fields of interferometers,may open up new possibilities for constructing robust wavelength division multiplexing,temperature-drift-insensitive sensing,and optical coherence tomography applications.

关键词： topological splitting insensitive

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Ultralow operating voltage for energy conversion performance in Hf_(1-x)Zr_(x)O_(2) thin films

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Journal of Materiomics 2024年第6期10卷 1206-1213页

作者： Ying Hou Baoyuan Wang Zhen Luo Xinzhe Du Zijian Wang Yi Fang Xiaoguang Li School of physics East China University of Science and TechnologyShanghai200237China state key laboratory of Powder Metallurgy Central South UniversityChangsha410083China Hefei National Research Center for Physical Sciences at the Microscale Department of Physics and CAS Key Laboratory of Strongly-Coupled Quantum Matter PhysicsUniversity of Science and Technology of ChinaHefei230026China

Emerging ferroelectric and antiferroelectric HfO_(2)-based thin films are attractive candidates for energy conversion and storage applications. In this work, the polar phase transformation between tetragonal and orthorhombic phases associated with ferroelectric or antiferroelectric behaviors is utilized to manipulate the electrocaloric cooling and energy storage performances in Zr-doped, woken up HfO_(2) ultrathin films. A giant electrocaloric temperature change of up to 11.85 K in Hf_(0.5)Zr_(0.5)O_(2) with the morphotropic phase boundary (MPB) state and a high energy storage density of 39.34 J/cm3 in the tetragonal phase-dominant Hf0.25Zr0.75O2 system are obtained. More interestingly, contrary to overdoping and excessive electric fields, an appropriate Zr concentration of 0.5 and an applicable driving field of 1.91 MV/cm are desired for the electrocaloric effect, resulting in an ultralow operating voltage as low as 1.3 V in this 6.8 nm thick Hf_(0.5)Zr_(0.5)O_(2) film. These findings illustrate that the structural design strategy is a visible method for achieving optimal energy-related behaviors and highlight the great possibilities for building future energy-related devices.

关键词： HfO_(2)-based films Morphotropic phase boundary state Electrocaloric cooling Energy storage

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