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Cascaded-Type Band Alignment of a WBG Perovskite/NBG Perovskite For Heterostructure Solar Cells

ACS applied Energy Materials 2024年第8期7卷 3039-3048页

作者： Thakran, Anjali Mohapatra, Anisha Verma, Hemant Hofmann, Mario Ansari, Zeeshan Alam Hanmandlu, Chintam Lu, Chung Hsin Chu, Chih Wei Department of Physics National Taiwan University Taipei106 Taiwan Research Center for Applied Sciences Academia Sinica 128 Academia Road Section 2 Nangang Taipei11529 Taiwan Nano-Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei106 Taiwan Department of Chemical Engineering National Taiwan University Taipei106 Taiwan Department of Photonics National Yang Ming Chiao Tung University Hsinchu City30010 Taiwan College of Engineering Center for Green Technology Chang Gung University Taoyuan City333002 Taiwan

The performance of single-junction mixed-halide perovskite-based solar cells is limited by thermalization and spectral losses. With advanced device architectures, the perovskite/perovskite heterostructure, where two or more photoactive layers are stacked together, can help to minimize these losses. In this work, we conformally transfer printed a narrow-band-gap perovskite over a spin-coated wide-band-gap perovskite layer to form a perovskite/perovskite heterostructure. This heterostructure results in broader spectral coverage and the higher position of the lowest unoccupied molecular orbital (LUMO) level of MAPbBrxI3-x compared to MA0.7FA0.3Pb0.5Sn0.5I3, forming a cascaded energy level alignment between photoactive layers. Additionally, direct evidence of improved morphology has been observed with the transfer-printing technique in heterostructure formation. The bottom layer provides favorable assistance for the growth of the top perovskite near the interface with good coverage and maintains the quality of the film. Thus, the increased crystallinity and reduced grain boundaries lead to less defects. This reduction played a key role in suppressing recombination losses at the interfaces, ultimately leading to improved device performance. These inherent properties have a positive impact on the photovoltaic response of the device, resulting in broader spectral response and power conversion efficiencies (PCEs) of 14.76% in the heterostructure device. A notable improvement is achieved compared to control single-junction devices, which typically have a PCE of nearly 10% with printed-Sn and 12% with spin-Br-based devices. Moreover, the heterostructure-based device exhibits high stability, retaining almost 80% of its initial PCE value for almost 1000 h with proper encapsulation. Our technique can be utilized for designing low-temperature and solution-processed stacked layers, applicable for optoelectronic devices, including light-emitting diodes (LEDs), sensors, and transist

关键词： Perovskite

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Interlayer couplings in cuprates: Structural origins, analytical forms, and structural estimators

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Physical Review B 2025年第16期111卷 165103-165103页

作者： Zheting Jin Sohrab Ismail-Beigi Department of Applied Physics Yale University New Haven Connecticut 06520 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Mechanical Engineering and Materials Science Yale University New Haven Connecticut 06520 USA

We quantitatively identify the multiple distinct microscopic mechanisms contributing to effective interlayer couplings (EICs) by performing first-principle calculations for two prototype superconducting cuprate families, pristine and doped Bi2Sr2CaCuO2O8+x and PrxY1−xBa2Cu3O7. The major mechanisms are mediated by interlayer oxygen pσ−pσ and pz−pz hoppings as well as interlayer copper d3z2−r2-oxygen pσ hoppings. Furthermore, we show how EICs are closely related to structural distortions such as layer bucklings and bond length changes. This allows us to provide analytical formulas that permit direct estimation of the key interatomic hoppings and the EICs based only on the crystal structure. Finally, we benchmark our method on YBa2Cu3O7 to estimate the strength and anisotropy of the EIC.

关键词： Bond length

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Key fuel characteristics and techno-economic aspects of torrefied rubberwood biomass pellets produced by incorporating various cassava-based binders at varied doses

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Environmental Science and Pollution Research 2024年第25期31卷 37663-37680页

作者： Kongto, Pumin Palamanit, Arkom Chaiprapat, Sumate Tippayawong, Nakorn Khempila, Jarunee Ruangim, Panatda Energy Technology Program Department of Interdisciplinary Engineering Faculty of Engineering Prince of Songkla University 15 Kanjanavanich Rd. Songkhla Hat Yai90110 Thailand Research Center Faculty of Engineering Prince of Songkla University 15 Kanjanavanich Rd. Songkhla Hat Yai90110 Thailand Department of Civil and Environmental Engineering Faculty of Engineering Prince of Songkla University 15 Kanjanavanich Rd. Songkhla Hat Yai90110 Thailand Department of Mechanical Engineering Chiang Mai University 239 Huay Kaew Rd. Chiang Mai Muang District 50200 Thailand Physics Program Faculty of Science and Technology Rajabhat Maha Sarakham University 80 Nakhon Sawan Rd. Maha Sarakham Mueang District 44000 Thailand

Improving energy content and hydrophobic nature of woody biomass can be pursued through torrefaction. This gives torrefied biomass with a low bulk density, potentially increasing storage and transport costs. To overcome this issue, densifying the torrefied biomass is necessary. However, poor binding of particles makes densification challenging without using a binder. Therefore, the aim of this study was to investigate the physicochemical characteristics and techno-economic aspects of torrefied rubberwood biomass (TRWB) when pelletized using various cassava-based binders at different blending ratios. The selected binders included cassava starch (CS), cassava pulp (CP), and cassava chip (CC). Each binder at 5%, 10%, or 15% (wt.) was mixed with TRWB and water before pelletizing using a flat die machine. The results revealed that pelletizing TRWB with different cassava-based binders at various blending ratios influenced the physicochemical characteristics of the TRWB pellets, particularly dimensions, bulk density, fuel and atomic ratios, and energy content. The TRWB pellets demonstrated energy densities in the range of 7.95–11.39 GJ/m3, and their mechanical durability and fine content fell within acceptable ranges. The TRWB pellets maintained their shape during 120 min of water soaking, with water absorption levels varying by binder dose. The pelletizing ability, material, and energy costs of TRWB pellets depend on binder type and dose. CP can be applied as a binder for pelletizing torrefied rubberwood biomass. However, the mechanical durability of the product needs to be above the user requirement or standard. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： Pelletizing

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Uncovering material deformations via machine learning combined with four-dimensional scanning transmission electron microscopy

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npj Computational Materials 2022年第1期8卷 1072-1080页

作者： Chuqiao Shi Michael C.Cao Sarah M.Rehn Sang-Hoon Bae Jeehwan Kim Matthew RJones David A.Muller Yimo Han Department of Materials Science and NanoEngineering Rice UniversityHoustonTXUSA School of Applied and Engineering Physics Cornell UniversityIthacaNYUSA Department of Chemistry Rice UniversityHoustonTXUSA Department of Mechanical Engineering and Materials Science Washington University in Saint LouisSaint LouisMOUSA Institute of Materials Science and Engineering Washington University in Saint LouisSaint LouisMOUSA Department of Mechanical Engineering Massachusetts Institute of TechnologyCambridgeMAUSA Kavli Institute for Nanoscale Science Cornell UniversityIthacaNYUSA

Understanding lattice deformations is crucial in determining the properties of nanomaterials,which can become more prominent in future applications ranging from energy harvesting to electronic ***,it remains challenging to reveal unexpected deformations that crucially affect material properties across a large sample ***,we demonstrate a rapid and semi-automated unsupervised machine learning approach to uncover lattice deformations in *** method utilizes divisive hierarchical clustering to automatically unveil multi-scale deformations in the entire sample flake from the diffraction data using four-dimensional scanning transmission electron microscopy(4D-STEM).Our approach overcomes the current barriers of large 4D data analysis without a priori knowledge of the *** this purely data-driven analysis,we have uncovered different types of material deformations,such as strain,lattice distortion,bending contour,etc.,which can significantly impact the band structure and subsequent performance of nanomaterials-based *** envision that this data-driven procedure will provide insight into materials’intrinsic structures and accelerate the discovery of materials.

关键词： utilize purely overcome

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Inverse Hall-Petch effect in nanocrystalline ice predicted by machine-learned coarse-grained molecular simulations

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Journal of Micromechanics and Molecular physics 2023年第1期8卷 1-10页

作者： Chen, Guang Tao, Lei Kröger, Martin Li, Ying Department of Mechanical Engineering University of Connecticut Storrs 06269 CT United States Department of Materials Polymer Physics Eth Zürich Zürich CH-8093 Switzerland Department of Mechanical Engineering Institute of Materials Science University of Connecticut Storrs 06269 CT United States Polymer Program Institute of Materials Science University of Connecticut Storrs 06269 CT United States

We study the grain-size effect on mechanical behaviors of polycrystalline ice at nanoscale through large-scale molecular dynamics simulations, enabled by an accurate and efficient machine-learned coarse-grained water model [H. Chan, M. J. Cherukara, B. Narayanan, T. D. Loeffler, C. Benmore, S. K. Gray and S. K. Sankaranarayanan. Machine learning coarse grained models for water. Nature Communications 10(1), p. 379, 2019]. Polycrystalline ice systems with different grain sizes in the range of 5∼30 nm are systematically investigated through uniaxial tensile tests. Simulation results reveal that Young's modulus and yield strength increase as the grain size increases, leading to an inverse Hall-Petch effect in nanocrystalline ice. Such an observation is significantly different from the conventional Hall-Petch effect in polycrystalline ice observed by experiments at millimeter scale. The deformation behavior suggests that grain boundaries (GBs), rather than grain interiors, play the active role in accommodating external loading in nanocrystalline ice. Further void analysis of nanocrystalline ice during deformation reveals that nanocrack initiates and propagates along GBs and eventually leads to failure of systems with larger grain sizes (≥20nm), yielding a sudden drop in the stress-strain curve. While for systems with smaller grain sizes (≤15nm), only extensive plastic deformation is presented without significant void growth. Our simulation results demonstrate that the GB sliding is the governing mechanism for the inverse Hall-Petch effect observed in nanocrystalline ice. © 2023 World Scientific Publishing Company.

关键词： grain boundary inverse Hall-Petch effect molecular dynamics simulation Polycrystalline ice water model

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Contraction Analysis of Multi- Agent Control for Guaranteed Capture of a Faster Evader

Contraction Analysis of Multi- Agent Control for Guaranteed ...

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作者： Rivera-Ortiz, Pillip M. Frommer, Andrew C. Diaz-Mercado, Yancy The Johns Hopkins University Applied Physics Laboratory 11100 Johns Hopkins Road LaurelMD20723 United States Department of Mechanical Engineering Collaborative Controls and Robotics Laboratory University of Maryland College ParkMD20742 United States

This work presents a verifiable condition for the selection of a sufficient number of pursuers to capture a faster evader. The condition is based on the tracking performance of a multiagent control scheme. Trajectory tracking results are provided for both the effects of the multi-agent control topology and its execution by the pursuers in the context of input saturation. To that end, nonlinear contraction theory is leveraged because it provides a unifying framework for the analysis of systems subject to bounded disturbances. Monte Carlo simulations are performed to validate the proposed condition for sufficient pursuers selection. © 2024 by ASME.

关键词： Networked control systems

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physics- and data-driven Active Learning of neural network representations for free energy functions of materials from statistical mechanics

arXiv

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arXiv 2025年

作者： Holber, Jamie Garikipati, Krishna Applied Physics University of Michigan United States Department of Aerospace and Mechanical Engineering University of Southern California United States

Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed Monte Carlo data. To optimize sampling in the high-dimensional Monte Carlo space, we present an Active Learning framework that integrates space-filling sampling, uncertainty-based sampling, and physics-informed sampling. Additionally, our approach includes methods such as hyperparameter tuning, dynamic sampling, and novelty enforcement. These strategies can be combined to reduce MSE—either globally or in targeted regions of interest—while minimizing the number of required data points. The framework introduced here is broadly applicable to Monte Carlo sampling of a range of materials systems. © 2025, CC BY-NC-ND.

关键词： Statistical mechanics

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Structure Optimization for Soft Fluidic Fish Tail

Structure Optimization for Soft Fluidic Fish Tail

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2024 International Conference on Microelectronics, ICM 2024

作者： Aboelrayat, Mahmoud T. Abozaid, Yahia A. Fahim, Irene S. Abobakr, Ahmed Said, Lobna A. Radwan, Ahmed G. Nile University Sheikh Zayed City12588 Egypt Al-Azhar University Department of Mechanical Engineering Cairo11651 Egypt School of Engineering and Applied Sciences Nile University Giza12588 Egypt Nisc Research Center Nile University Giza12588 Egypt Cairo University Department of Engineering Mathematics and Physics Giza12613 Egypt

ISBN: (纸本)9798350379396

The design of the actuator is crucial for enhancing the performance of soft robots, particularly in challenging environments such as underwater. Among the most favored actuation techniques for soft underwater robots are soft fluidic actuators, which emulate the oscillatory motion of a fishtail. However, the effect of design parameters on such actuators is not yet well covered. This paper investigates the impact of design parameters on a dual soft fluidic actuator inspired by a tuna fish tail using the Finite Element Method (FEM). The study focuses on four main parameters: the actuator's outer wall thickness, the gap between the actuator's inner pillows, the number of pillows, and the thickness of the passive layer between two actuators. The study found that the outer wall thickness had the largest effect on the overall deformation. Following this, the paper experimentally assesses the performance of the resulting actuator topology against the simulation results. © 2024 IEEE.

关键词： Structural optimization

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Development of Low-Cost Temperature and Relative Humidity Remote Monitoring System

Development of Low-Cost Temperature and Relative Humidity Re...

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2023 IEEE Region 10 Symposium, TENSYMP 2023

作者： Deshmukh, Payal Pawar, Ganesh Deshmukh, Niranjan Garde, Chandrashekhar Deshmukh, Minal Raut, Ketan Prabhu, Shriganesh Vishwakarma Institute of Information Technology Department of Electronics and Telecommunication Engineering Pune India Vishwakarma Institute of Information Technology Department of Mechanical Engineering Pune India Vishwakarma Institute of Information Technology Department of Engineering and Applied Sciences Pune India Tata Institute of Fundamental Research Department of Condensed Matter Physics Mumbai India

ISBN: (纸本)9781665482585

Temperature and relative humidity measurement is a versatile tool with numerous applications across various fields, including meteorology, agriculture, industrial processes, building management, and testing. Temperature and relative humidity measurements are useful for leakage testing in various applications, ensuring the safety and quality of products, and optimizing process efficiency. To this end, a cost-effective remote temperature and relative humidity monitoring system has been developed, utilizing industrial-grade sensors to measure these parameters. The data from three sensors is collected through a Data acquisition system using a Node Microcontroller Unit (NodeMCU) module and I2C multiplexer, and real-time data is upload to Google Sheets which enables remote monitoring. The paper outlines the system's design and implementation on a cable feed-through connector for water leakage testing, examines the feasibility of data monitoring, and presents test results at temperatures 10, 50, and 70 degree Celsius respectively. © 2023 IEEE.

关键词： Cost effectiveness

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Achieving high surface bioactivity and adhesion in Ti-6Al-4V alloy via anodic oxidation and electrophoretic deposition

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Ceramics International 2025年第16期51卷 22755-22765页

作者： Wu, Yu-Jie Wang, Chi-Yun Mana-ay, Haidee Tu, Chi-Shun Lai, Po-Liang Chen, Pin-Yi International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City24301 Taiwan Research Center for Intelligent Medical Devices Ming Chi University of Technology New Taipei City24301 Taiwan Department of Physics Fu Jen Catholic University New Taipei City24205 Taiwan Bone and Joint Research Center Department of Orthopedic Surgery Chang Gung Memorial Hospital Taoyuan City33305 Taiwan Department of Mechanical Engineering Chang Gung University Taoyuan City33302 Taiwan Department of Physics Silliman University Dumaguete City6200 Philippines

This study combines 3D printing, anodic oxidation (AO), and electrophoretic deposition (ED) technologies to develop Ti-6Al-4V alloy (abbreviated as Ti64) with high hydrophilicity, adhesion, and bioactivity. Titanium oxide nanotubes formed by AO treatment on the Ti64 surface exhibited reduced contact angles from 53 ° to 10 °. The adhesion of the calcium (Ca) layer through the integrated technology of the AO and ED treatments (herein abbreviated as AED) displays an optimal adhesive force of over 30 N on the Ti64 surface, which is attributed to the stable chemical bond due to the formation of OH− ions on the substrate after the AO treatment and the subsequent oxidation reaction of the Ca2+ ions to form a predominantly Ca(OH)2 layer after the ED treatment. Moreover, the AED treatment forms tiny needle-like structures that can effectively promote osteogenic differentiation. The expressions of the osteocyte marker genes (i.e., OCN, OPN, and DMP1) were improved after the AED treatment, showing increased osteogenic differentiation into mature bone tissue. This work presents the AED treatment as a valuable surface modification technique to boost the surface bioactivity of Ti64 for clinical orthopedic applications. © 2025

关键词： Anodic oxidation

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