Article
Physics, Applied
Meng Song, Jun Zhao, Caixing Liu, Miao He, Yihao Wang, Yuyan Han, Langsheng Ling, Liang Cao, Lei Zhang, Zhe Qu, Yimin Xiong
Summary: Understanding the magnetic properties and critical behavior of noncollinear itinerant magnet PrMn2Ge2 is essential for exploring spintronics devices based on topological spin textures. This work investigates the anisotropic magnetic properties and observes the antiferromagnetic to ferromagnetic transition induced by magnetic field and temperature. It is found that PrMn2Ge2 possesses multiple magnetic interactions, as indicated by the critical exponents and interaction function. The competition of these interactions in PrMn2Ge2 may be responsible for the skyrmionic bubbles observed at room temperature.
APPLIED PHYSICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Karol Kawa, Pawel Machnikowski
Summary: In this study, we investigate the spread of correlations in a one-dimensional lattice system with high on-site energy disorder and long-range couplings. We find that the increase in correlation between two nodes exhibits three phases and we also obtain an approximate solution of the model valid in the limit of strong disorder.
Article
Materials Science, Multidisciplinary
Jonas von Milczewski, John R. Tolsma
Summary: We describe a many-body theory for interlayer dispersion forces and investigate the role of disorder, finding that short-range disorder tends to weaken interlayer dispersion forces. This is consistent with previous research suggesting transitioning from metallic to insulating propagation weakens these forces.
Article
Chemistry, Physical
Jiawei Zhan, Marco Govoni, Giulia Galli
Summary: Electronic structure calculations based on DFT have successfully predicted ground-state properties of molecules and materials. However, the currently used exchange and correlation functionals are often inaccurate for describing the electronic properties of heterogeneous solids. Here, we present a dielectric-dependent range-separated hybrid functional, SE-RSH, which accurately predicts the electronic structure of various nonmetallic interfaces, solids, and nanoparticles.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Andrea Zen, Tai Bui, Tran Thi Bao Le, Weparn J. Tay, Kuhan Chellappah, Ian R. Collins, Richard D. Rickman, Alberto Striolo, Angelos Michaelides
Summary: The aggregation of clay particles in aqueous solution is an important process in both environmental and technological fields. However, the mechanism behind this process at the atomistic level, which involves complex and dynamic interactions such as solvent-mediated electrostatic, hydrogen-bonding, and dispersion interactions, is still poorly understood. In this study, molecular dynamics simulations were conducted to investigate the interactions between kaolinite nanoparticles in pure and salty water. The simulations revealed highly anisotropic behavior, with the interaction between nanoparticles changing from attractive to repulsive depending on their relative orientation. The results of this study highlight the diversity of clay nanoparticle interactions and provide valuable insights for the development of coarse-grained models of clay nanoparticle aggregation.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Astrid T. Romer, P. J. Hirschfeld, Brian M. Andersen
Summary: The symmetry of the superconducting condensate in Sr2RuO4 remains controversial, with recent experiments overturning the dominant paradigm and suggesting that s'+ id(xy) or s,+ ip phases may be the most favorable candidate states.
Article
Nanoscience & Nanotechnology
Abhijeet Prasad, Jay Min Lim, Ravi F. Saraf
Summary: Large, open-gate transistors made from metal nanoparticle arrays offer possibilities to build new electronic devices, such as sensors. In this study, a nanoparticle necklace network (N3) of Au particles exhibited a nonohmic I-Vd behavior. Based on three results, a sharp transition temperature at approximately 140 K was discovered, where the conduction mechanism switches from Coulomb blockade to classical critical percolation behavior. The novel global critical behavior in these N3 architectures may potentially lead to novel sensors and biosensors.
ADVANCED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Wenna Ai, Neil Qiang Su, Wei-Hai Fang
Summary: The omega P22 functional introduces a semi-local density functional to improve dynamic correlation without double-counting, showing promising results for predicting properties around equilibrium geometries. Tests demonstrate that the model can accurately predict properties at equilibrium and slightly away from equilibrium, outperforming common density functionals in certain areas such as reaction barriers and nonbonded interactions. Further refinement of short- and long-range approximations in the functional model is needed to enhance its accuracy for both near and far from equilibrium geometries.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Optics
Li Guang Jiao, Hui Hui Xie, Aihua Liu, H. E. Montgomery, Yew Kam Ho
Summary: The critical screening parameters for single-electron systems are calculated with precision, and results for various excited states are compared for accuracy validation. The behaviors of system-bound and pseudo-continuum eigenenergies are shown to follow specific laws, with detailed analysis on the corresponding wave functions. Additionally, it is demonstrated that for systems with non-zero orbital angular momenta, bound states convert into shape-type resonances under certain conditions, with different laws governing the resonance energy and width.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2021)
Article
Physics, Condensed Matter
Guangze Chen, Malte Rosner, Jose L. Lado
Summary: Coulomb engineering is proposed as a versatile strategy to tailor magnetic ground states in layered materials, and it can precisely manipulate the frustrated magnetic order in two-dimensional materials by means of environmental dielectric screening.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Physics, Condensed Matter
Yaroslav Groda, Maxym Dudka, Gleb Oshanin, Alexei A. Kornyshev, Svyatoslav Kondrat
Summary: Analytical models for capacitive energy storage in nanopores have gained increasing interest for their ability to provide detailed insights into charging mechanisms. This study shows that next-nearest interactions enhance capacitance and stored energy densities and may significantly impact the phase behavior of confined ionic liquids.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Physics, Multidisciplinary
Shraddha Sharma, Simon B. Jaeger, Rebecca Kraus, Tommaso Roscilde, Giovanna Morigi
Summary: The ground-state entanglement entropy of the extended Bose-Hubbard model with infinite-range interactions was studied. Different behaviors of entanglement entropy were observed at the insulator-superfluid transition under different fillings, as well as the presence of a critical logarithmic term at the superfluid-to-supersolid transition.
PHYSICAL REVIEW LETTERS
(2022)
Article
Optics
D. S. Rosa, T. Frederico, G. Krein, M. T. Yamashita
Summary: In this study, we analytically solved the three-body mass-imbalanced problem with zero-range resonantly interacting particles in D dimensions. By applying the Bethe-Peierls boundary conditions for zero-energy two-body bound states in D dimensions, we derived the negative energy eigenstates of the three-body Schrodinger equation. The solution exhibits an Efimov-like discrete scaling factor dependence on dimension. The analytical form of the mass-imbalanced three-body bound-state wave function can be utilized to explore the effective dimension of asymmetric cold atomic traps near the Efimov limit for Feshbach resonances.
Article
Chemistry, Physical
S. Zhou, J. R. Solana
Summary: Monte Carlo NVT simulations were conducted to investigate the properties of fluids with HC-SPS interactions. The accuracy of two integral equation theories and a local chemical potential formula for short-ranged potentials was assessed. The study found that the RHNC approximation underestimates the radial distribution peak and that local pressure self-consistency is crucial for accurate results.
Article
Quantum Science & Technology
Veit Langrock, Jan A. Krzywda, Niels Focke, Inga Seidler, Lars R. Schreiber, Lukasz Cywinski
Summary: Silicon spin qubits have long coherence times, are compatible with industrial fabrication, and contain the potential to integrate classical control electronics. A blueprint for a coherent mid-range link, called a spin qubit shuttle, has been presented to address the signal fan-out problem between qubit registers. The shuttle consists of an array of gates connected into sets, requiring only a few voltage control lines to control these sets, and is independent of the length of the link. Two operation modes, qubit conveyor and bucket brigade, have been discussed, with the former being more viable in a realistic Si/SiGe device. Transfer fidelity of 99.9% is feasible at a speed of approximately 10 m/s, given realistic bounds on valley splitting and its inhomogeneity.
Article
Nanoscience & Nanotechnology
Bingquan Han, Lei Zhang, Yuwei Cao, Benyi Li, Zhiyuan Liu, Lingbo Xu, Peng Wang, Ping Lin, Xiaoping Wu, Can Cui
Summary: CsPbI3 inorganic perovskites with ideal bandgap have attracted much interest in solar cells due to their enhanced thermal stability. In this study, the use of the green antisolvent ethyl acetate (EA) in the fabrication process led to improved morphology, crystallinity, and reduced defects in CsPbI3 films compared to other antisolvents. This green antisolvent engineering resulted in efficient CsPbI3 perovskite solar cells with a champion power conversion efficiency of 8.8%, providing a viable way to prepare high-quality CsPbI3 perovskite films for optoelectronic applications.
Article
Physics, Applied
Pengyu Xu, Hongjing Piao, Shuai Liu, Haihua Hu, Jiajie Ding, Jiahui Bao, Peng Wang, Xiaoping Wu, Lingbo Xu, Ping Lin, Haiyan He, Can Cui
Summary: By adding alkali metal fluorides, especially potassium fluoride, to the perovskite precursor, the defect behaviors of perovskite films were successfully modulated, leading to improved performance of solar cells with significantly enhanced power conversion efficiency.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Physics, Condensed Matter
Ping Lin, Qingyu Meng, Hang Chen, Haihua Hu, Desheng Fang, Lingbo Xu, Peng Wang, Can Cui
Summary: High-quality MAPbX(3) single crystals were grown with a desirable size using an inverse temperature crystallization method. The hysteresis behavior was found to be strongly dependent on the measuring protocol, including scan rate and light illumination condition. Different factors, such as defect trapping, MA(+) dipole rotation, and ion migration, were identified as influencing charge dynamics in different regimes. The study provides comprehensive experimental support for understanding hysteresis behaviors and slow photoresponse in MAPbX(3) and offers guidance for future work in optoelectronic devices based on MAPbX(3).
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Materials Science, Multidisciplinary
Guoqiang Yu, Can Liu, Haiqi Gao, Tao Wang, Xiaoping Wu, Ping Lin, Lingbo Xu, Can Cui, Xuegong Yu, Peng Wang
Summary: Solution-processed niobium oxide (Nb2O5) films can activate the passivation of crystalline silicon (c-Si) surface at low temperatures, while high temperatures can deactivate the passivation. The passivation kinetics are strongly related to the diffusion of hydrogen at the Nb2O5/c-Si interface.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Chemistry, Physical
Jiahui Bao, Peng Wang, Weihao Zhang, Benyi Li, Xiaoping Wu, Lingbo Xu, Ping Lin, Haiyan He, Xuegong Yu, Can Cui
Summary: A facile method to simultaneously passivate defects at both the surface of SnO2 and the bottom surface of the perovskite layer has been proposed. The introduction of 3-chlorothiophene-2-carboxylic acid (TCA-Cl) as an interlayer improves the conversion efficiency of perovskite solar cells and reduces hysteresis and increases stability.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Lei Zhang, Bingquan Han, Zhiyuan Liu, Yuxin Yao, Lingbo Xu, Peng Wang, Ping Lin, Xiaoping Wu, Xuegong Yu, Can Cui
Summary: CsPbI3 all-inorganic perovskite has superior thermal stability compared to its organic-inorganic hybrid counterparts. However, it suffers from phase instability when exposed to moisture. By engineering the additives in the hole transport material (HTM), the phase transition of CsPbI3 can be accelerated or mitigated, leading to improved stability and performance of solar cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Condensed Matter
Chao Liu, Hang Chen, Ping Lin, Haihua Hu, Qingyu Meng, Lingbo Xu, Peng Wang, Xiaoping Wu, Can Cui
Summary: A perovskite single crystal heterojunction was successfully formed by growing MAPbBr(3) single crystal thin layer on a MAPbCl(3) single crystal substrate. The heterojunction device exhibits excellent photoelectric performance, with low dark current, high photocurrent, and stable photocurrent compared to MAPbCl(3) and MAPbBr(3). Furthermore, the heterojunction device has a higher light-to-dark ratio and detectivity than MAPbCl(3) and MAPbBr(3).
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Engineering, Electrical & Electronic
Can Liu, Lei Zhang, Guoqiang Yu, Tao Wang, Xiaoping Wu, Lingbo Xu, Ping Lin, Can Cui, Xuegong Yu, Peng Wang
Summary: This study proposes a method for improving the performance of molybdenum oxide film using vanadium ion doping, which effectively enhances the efficiency and performance of silicon-based optoelectronic devices. With a doping concentration of 5%, the effective carrier lifetime of silicon-based solar cells is significantly increased, and the contact resistivity is simultaneously reduced.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Benyi Li, Peng Wang, Mengting Shao, Jiahui Bao, Xiaoping Wu, Ping Lin, Lingbo Xu, Xuegong Yu, Can Cui
Summary: In this study, L-carnitine hydrochloride was incorporated into SnO2 nanoparticle solution as the electron transport layer, leading to improved performance of perovskite solar cells. L-carnitine hydrochloride can inhibit the self-aggregation of SnO2 nanoparticles, optimize the energy level alignment between perovskite and SnO2, and repair defects in the perovskite film, resulting in increased efficiency and stability of the solar cells.
ORGANIC ELECTRONICS
(2022)
Article
Engineering, Electrical & Electronic
Chao Liu, Hang Chen, Ping Lin, Haihua Hu, Qingyu Meng, Lingbo Xu, Peng Wang, Xiaoping Wu, Can Cui
Summary: In this study, high-quality orthorhombic and cubic CsPbBr3 single crystals were successfully grown, and the correlation between the photoelectrical properties and crystal structures was investigated. It was found that even though cubic CsPbBr3 has a longer carrier lifetime, hysteresis behaviors and overshoot in the photocurrent were observed as the light illumination intensity increased, while orthorhombic CsPbBr3 exhibited excellent response ability and stability.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Physical
Hang Chen, Chao Liu, Ping Lin, Haihua Hu, Qingyu Meng, Lingbo Xu, Peng Wang, Xiaoping Wu, Can Cui
Summary: In this study, a surface passivation method was reported to effectively reduce surface defects and improve the performance of MAPbBr3 perovskite single crystal. The passivation treatment significantly enhanced the photoluminescence intensity and increased the photogenerated carrier lifetime. This novel strategy provides a feasible and efficient approach to improve the properties of perovskite single crystals.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Yihui Zou, Changhong Lin, Haihua Hu, Huilin Li, Ping Lin, Peng Wang, Lingbo Xu, Xiaoping Wu, Can Cui
Summary: This study presents a method to enhance the interface between SnO2 and perovskite, which plays a crucial role in achieving high-efficiency perovskite solar cells. The optimized SnO2/perovskite interface shows reduced defect states and improved energy level alignment, resulting in impressive power conversion efficiency and stability for the PSCs.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Linfeng Zhang, Guohui Luo, Weihao Zhang, Yuxin Yao, Penghui Ren, Xiuhong Geng, Yi Zhang, Xiaoping Wu, Lingbo Xu, Ping Lin, Xuegong Yu, Peng Wang, Can Cui
Summary: This study introduces trioctylphosphine oxide (TOPO) into the precursor to provide tensile strain outside the perovskite lattice, improving crystallization and inhibiting ion migration. The TOPO molecule also passivates grain boundaries and undercoordinated Pb2+ defects. The synergistic effect of Cs+ and TOPO additives significantly enhances the performance of the solar cells.
Article
Mathematics, Interdisciplinary Applications
Yanbin Zhang, Ping Lin, Weigang Sun
Summary: This paper investigates circuit implementation and anti-synchronization in coupled nonidentical fractional-order chaotic systems. A fractance module is introduced to approximate the fractional derivative. A nonlinear coupling strategy is designed and proved by stability theory to achieve anti-synchronization in the fractional-order Rucklidge chaotic systems. Circuit experiments are conducted to validate the theoretical results and suggest potential applications in secure communication and data encryption.
FRACTAL AND FRACTIONAL
(2022)
Article
Chemistry, Physical
Lei Zhang, Xiaoyu Ge, Bingquan Han, Lingbo Xu, Xiaoping Wu, Ping Lin, Peng Wang, Can Cui
Summary: Introducing thiosemicarbazide (TSC) as a multifunctional additive improves the properties of SnO2 ETLs, enhancing conductivity and wettability while facilitating perovskite film crystallization. This leads to a significant increase in power conversion efficiency and improved stability in PSCs based on TSC-complexed SnO2 ETLs.
SUSTAINABLE ENERGY & FUELS
(2021)
