摘要：
The development of materials to replace precious metal catalysts is key to achieving energy conversion at low cost. In this paper, a series of bifunctional catalysts based on 3d transition metal (TM) atoms and transition metal sulfide (TMD) heterojunctions with single-atom catalysts (SACs) based on density-functional theory (DFT) are reported. Oxygen electrocatalyst activity and stability were evaluated for 20 structures. The results showed that Ni-based SAC had significant OER/ORR catalytic activity with the lowest overpotential(0.41/0.78V). The mechanism of catalytic activity enhancement was investigated by descriptors of intermediate adsorption energy. A dual-atom catalyst (DAC) NiCo@Site Ⅰ was designed using the synergistic effect of active sites to reduce the reaction overpotential further. The overpotential of the active sites of the designed DACs was reduced compared to that of the SACs. This work contributes to solving key challenges in energy conversion and provides theoretical guidance for the design of bifunctional catalysts.
The development of materials to replace precious metal catalysts is key to achieving energy conversion at low cost. In this paper, a series of bifunctional catalysts based on 3d transition metal (TM) atoms and transition metal sulfide (TMD) heterojunctions with single-atom catalysts (SACs) based on density-functional theory (DFT) are reported. Oxygen electrocatalyst activity and stability were evaluated for 20 structures. The results showed that Ni-based SAC had significant OER/ORR catalytic activity with the lowest overpotential(0.41/0.78V). The mechanism of catalytic activity enhancement was investigated by descriptors of intermediate adsorption energy. A dual-atom catalyst (DAC) NiCo@Site Ⅰ was designed using the synergistic effect of active sites to reduce the reaction overpotential further. The overpotential of the active sites of the designed DACs was reduced compared to that of the SACs. This work contributes to solving key challenges in energy conversion and provides theoretical guidance for the design of bifunctional catalysts.
摘要：
Detecting lung nodules through computed tomography (CT) scans plays an important role in early prevention, clinical diagnosis, and monitoring of lung cancer. However, the small, irregular shape and low resolution of lung nodules, together with multiscale challenges, often hinder accurate detection, especially for small nodules. To overcome these obstacles, we propose an improved detection algorithm, a real-time detection transformer (RT-DETR) nodule, specifically for lung nodules in CT images. The proposed RT-DETR framework includes several improvements aimed at increasing the detection accuracy. First, a RFAFasterNet is designed by replacing the backbone network with FasterNet network and incorporating the receptive field attention convolution (RFAConv) module. This integration improves the network’s capacity to capture both local and distant features, guided by the receptive field attention mechanism while effectively minimizing redundant computations. In addition, a small object detection layer (P2) is added to solve the problem of low-resolution small nodule detection. Finally, a hierarchical scale–based path aggregation network is proposed to further refine the detection of different nodule sizes by integrating deep-level and shallow-level features. Comprehensive experiments on the LUNA16 dataset demonstrate that the competition performance metric reaches 88.3% , which is 2.7% higher than the baseline model. In addition, the experimental results also show that the model has strong generalization in different datasets.
作者机构：
[Xu, Jin-long; Ai, Mei; Xu, JL; Zhu, Ming; Wang, Jie; Yu, Nai-ping; Zhang, Chuan-peng; Zhu, M; Liu, Xiao-lan; Jiang, Peng; Jing, Yingjie] Chinese Acad Sci, Natl Astron Observ, 20A Datun Rd, Beijing, Peoples R China.;[Xu, Jin-long; Ai, Mei; Xu, JL; Zhu, Ming; Yu, Nai-ping; Zhang, Chuan-peng; Zhu, M; Liu, Xiao-lan; Jiang, Peng] Guizhou Univ, Guizhou Radio Astron Observ, Guiyang 550000, Peoples R China.;[Jiao, Qian] Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.;[Liu, Yao] Qiannan Normal Univ Nationalities, Sch Phys & Elect, Longshan Rd, Tuyun 558000, Peoples R China.;[Liu, Yao] Qiannan Key Lab Radio Astron, Duyun 558000, Guizhou, Peoples R China.
通讯机构：
[Zhu, M; Xu, JL ] C;Chinese Acad Sci, Natl Astron Observ, 20A Datun Rd, Beijing, Peoples R China.;Guizhou Univ, Guizhou Radio Astron Observ, Guiyang 550000, Peoples R China.
摘要：
We present high-sensitivity and large-scale atomic hydrogen (H i) observations toward lenticular (S0) galaxy NGC 4111 using the Five-hundred-meter Aperture Spherical Radio Telescope. The column-density map shows that NGC 4111 and seven other different types of galaxies share a huge H i gas complex. The data also suggest that NGC 4111 is interacting with seven galaxies. Moreover, we identified a rotating gas disk associated with NGC 4111 from the H i complex. Still, the H i disk rotation direction has deviated from its stellar disk by about 34 .degrees 2, indicating that the NGC 4111 galaxy is undergoing a transition from a spiral galaxy to an S0 galaxy by the tidal interactions. The obtained dark matter to stellar mass ratio of NGC 4111 is 3.1 +/- 0.7, which is lower than the average value of the local Universe, implying that the interactions may strip its dark matter. Our results suggest that in a galaxy group environment, tidal interactions have a significant effect on galaxy features.
作者机构：
[Shuaishuai Li] School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430048, China;Author to whom correspondence should be addressed.;[Weizhen Chen] School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430048, China<&wdkj&>Author to whom correspondence should be addressed.
通讯机构：
[Weizhen Chen] S;School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430048, China<&wdkj&>Author to whom correspondence should be addressed.
关键词：
power load forecasting;spatiotemporal feature fusion;attention mechanism;interpretability
摘要：
Driven by the global “double carbon” goal, the volatility of renewable energy poses a challenge to the stability of power systems. Traditional methods have difficulty dealing with high-dimensional nonlinear data, and the single deep learning model has the limitations of spatiotemporal feature decoupling and being a “black box”. Aiming at the problem of insufficient accuracy and interpretability of power load forecasting in a renewable energy grid connected scenario, this study proposes an interpretable spatiotemporal feature fusion model based on an attention mechanism. Through CNN layered extraction of multi-dimensional space–time features such as meteorology and electricity price, BiLSTM bi-directional modeling time series rely on capturing the evolution rules of load series before and after, and the improved self-attention mechanism dynamically focuses on key features. Combined with the SHAP quantitative feature contribution and feature deletion experiment, a complete chain of “feature extraction time series modeling weight allocation interpretation and verification” is constructed. The experimental results show that the determination coefficient R2 of the model on the Australian electricity market data set reaches 0.9935, which is 84.6% and 59.8% higher than that of the LSTM and GRU models, respectively. The prediction error (RMSE = 105.5079) is 9.7% lower than that of TCN-LSTM model and 52.1% compared to the GNN (220.6049). Cross scenario validation shows that the generalization performance is excellent (R2 ≥ 0.9849). The interpretability analysis reveals that electricity price (average absolute value of SHAP 716.7761) is the core influencing factor, and its lack leads to a 0.76% decline in R2. The research breaks through the limitation of time–space decoupling and the unexplainable bottleneck of traditional models, provides a transparent basis for power dispatching, and has an important reference value for the construction of new power systems.
关键词：
2D;first-principles calculations;quantum anomalous Hall effect;spin-orbit coupling
摘要：
The pursuit of ferromagnetic semiconductors capable of realizing the quantum anomalous hall effect (QAHE) at room temperature holds significant importance for the development and application of spintronic devices. However, current experimental realizations of QAHE in 2D materials are often limited by extremely low TC and minute nontrivial bandgaps. Herein, based on first-principles calculations, a stable QAHE system that can exist at room temperature is successfully achieved by adsorbing N and O atoms on opposite sides of arsenene. According to the computational results, this novel 2D O & horbar;As & horbar;N system exhibits ferromagnetic semiconducting behavior with a TC of 350 K and a bandgap of approximate to 131 meV. Further calculations and analysis of the system's gapless chiral edge states, Chern number (C = 1), and quantized quantum Hall conductivity confirm the topological nontriviality of the bandgap. This work sheds light on the physical mechanisms for developing spintronic devices utilizing room-temperature ferromagnetic semiconductors and realizing lossless devices through the application of room-temperature QAHE.
摘要：
The exploration of multiphases and 0D/2D heterojunction in transition metal phosphides (TMPs) and transition metal sulfides (TMDs) is of major interest for hydrogen evolution reaction (HER). Herein, a novel combination route where 0D mixed-phased 1T/2H molybdenum sulfide quantum dots (MoS 2 QDs) are uniformly anchored on the 2D CoP x nanosheets is developed. MoS 2 QDs and CoP x were prepared via hydrothermal method and mixed with different ratios (Mo:Co ratios of 2:1, 1:1, and 1:2) and annealed under different temperatures to modulate their application in acidic HER processes. Specifically, 2Mo/1Co exhibited advanced performance for HER in 0.5 M H 2 SO 4 solution and required 14 mV to deliver 10 mA cm −2 and revealed a descended Tafel slope of 75.42 mV dec −1 with 240 h stability except obvious deactivation. The successful design and construction of 0D/2D mixed-dimensional materials would broaden the application of MoS 2 and CoP x for electrocatalytic hydrogen evolution.
The exploration of multiphases and 0D/2D heterojunction in transition metal phosphides (TMPs) and transition metal sulfides (TMDs) is of major interest for hydrogen evolution reaction (HER). Herein, a novel combination route where 0D mixed-phased 1T/2H molybdenum sulfide quantum dots (MoS 2 QDs) are uniformly anchored on the 2D CoP x nanosheets is developed. MoS 2 QDs and CoP x were prepared via hydrothermal method and mixed with different ratios (Mo:Co ratios of 2:1, 1:1, and 1:2) and annealed under different temperatures to modulate their application in acidic HER processes. Specifically, 2Mo/1Co exhibited advanced performance for HER in 0.5 M H 2 SO 4 solution and required 14 mV to deliver 10 mA cm −2 and revealed a descended Tafel slope of 75.42 mV dec −1 with 240 h stability except obvious deactivation. The successful design and construction of 0D/2D mixed-dimensional materials would broaden the application of MoS 2 and CoP x for electrocatalytic hydrogen evolution.
摘要：
In order to plan suitable navigation operation paths for the characteristics of rice fields in the middle and lower reaches of the Yangtze River and the operational requirements of straw rotary burying, this paper proposes a combination of the Hough matrix and RANSAC algorithms to extract the starting routes of straw boundaries; the algorithm adopts the Hough matrix to extract the characteristic points of the straw boundaries and remove the redundancies, and then reduces the influence of noise points caused by different straw shapes using the RANSAC algorithm to improve the accuracy of the starting route extraction. The algorithm extracts the starting routes of straw boundaries and the characteristic points of the straw boundaries and removes the redundancies, so as to improve the accuracy of the starting route extraction. The extraction test shows that under different scenes, the recognition accuracy of the path extraction method combining the Hough matrix and RANSAC algorithm is above 90%, and the algorithm takes no more than 0.51 s. Finally, the road test shows that the method meets the characteristics of tractor operation with a large turning radius and without reversing and satisfies the unmanned operation requirements of straw rotary burying in the field.
摘要：
Elemental diffusion and reactions at interfaces significantly increase resistivity and reduce stability, particularly in thermoelectric (TE) systems containing highly diffusive elements like Te. Using thermodynamically stable phases as contact layers have eliminated interfacial reactions but have not been able to completely stop elemental diffusion. This work introduces an innovative approach to effectively increase the activation energy of cross-interface atom diffusion by creating a continuously interfacial symmetric strain field via a high density of interfacial edge dislocations. Specifically, a dense interfacial strain barrier layer is constructed using Ni 0.5 Te as contact layer, resulting in an atomically continuous Te 0.985 Sb 0.015 /Ni 0.5 Te interface. This design achieves a notable reduction in contact resistivity to 9 μΩ cm 2 while maintaining more than 75 % of the theoretical device efficiency at a hot-end temperature, ( T h ) of 523 K even after 21,600 min of aging. This method of optimizing both the interfacial microstructure and chemical composition provides a new avenue for constructing stably high-performance heterostructure devices.
Elemental diffusion and reactions at interfaces significantly increase resistivity and reduce stability, particularly in thermoelectric (TE) systems containing highly diffusive elements like Te. Using thermodynamically stable phases as contact layers have eliminated interfacial reactions but have not been able to completely stop elemental diffusion. This work introduces an innovative approach to effectively increase the activation energy of cross-interface atom diffusion by creating a continuously interfacial symmetric strain field via a high density of interfacial edge dislocations. Specifically, a dense interfacial strain barrier layer is constructed using Ni 0.5 Te as contact layer, resulting in an atomically continuous Te 0.985 Sb 0.015 /Ni 0.5 Te interface. This design achieves a notable reduction in contact resistivity to 9 μΩ cm 2 while maintaining more than 75 % of the theoretical device efficiency at a hot-end temperature, ( T h ) of 523 K even after 21,600 min of aging. This method of optimizing both the interfacial microstructure and chemical composition provides a new avenue for constructing stably high-performance heterostructure devices.
摘要：
The monolayer Janus FeClS, whose mirror inversion symmetry is broken due to its different non-metallic atomic compositions, exhibits spontaneous polarity and obvious spin polarization and has unique half-metal properties different from the corresponding pure monolayer FeCl 2 and FeS 2 , that is, the spin-up band appears as a semiconductor and the spin-down band appears as a metal. As the most common and effective means of structure and performance regulation, biaxial strain is applied to monolayer FeClS for study. Importantly, the strain-induced crystal structure changes cause different inter-hybridization of Fe-3 d electron orbitals in Janus FeClS, which leads to changes in electronic structures. In particular, the half-metal properties, dipole moments, and magnetic axis orientation of monolayer Janus FeClS remain basically unchanged under a certain degree of tensile and compressive strain, and the critical strain degree is basically the same when these properties are changed, indicating that Janus FeClS has a robust electronic structure and polarity. In addition, the magnetic moment and the absorption of visible light in monolayer FeClS are also regulated by biaxial strain. Therefore, this study expands the prospect and direction for the effective use and regulation of the excellent spin polarization characteristics of polar two-dimensional materials.
通讯机构：
[Xiang, ST ] W;Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430048, Peoples R China.
关键词：
photovoltaic power generation;maximum power point tracking;Harris hawks optimization algorithm;partial shading;tent chaotic mapping;perturb and observe method
摘要：
This paper proposes an improved Harris Hawks Optimization (IHHO) algorithm to enhance maximum power point tracking (MPPT) performance in photovoltaic (PV) systems operating under various conditions. The IHHO introduces Tent chaotic mapping to improve population diversity and avoid premature convergence, a nonlinear decreasing inertia weight to dynamically balance exploration and exploitation, and a hybrid perturbation mechanism based on differential evolution to enhance local refinement. Additionally, a dynamic step-size adjustment and an escape energy mechanism responsive to irradiance changes improve real-time tracking adaptability. Parallel computing is employed to accelerate fitness evaluations and improve computational efficiency. Simulation results under multiple static and dynamic shading scenarios demonstrate that the proposed IHHO algorithm consistently achieves faster convergence, higher tracking accuracy, and stronger robustness than conventional methods such as particle swarm optimization (PSO) and Jaya. These results confirm the effectiveness of IHHO for reliable MPPT control in practical PV applications under diverse and challenging environmental conditions.
期刊：
Review of Scientific Instruments,2025年96(6):064504 ISSN：0034-6748
通讯作者：
Blair, C
作者机构：
[Wang, Tailong] Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.;[Zhao, Chunnong; Blair, Carl; Al-Jodah, Ammar; Blair, C; Adam, Alexandra; Ju, Li; Liu, Jian; Goodwin-Jones, Aaron; Wang, Tailong; Winterflood, John] Univ Western Australia, OzGrav, Crawley, WA 6009, Australia.;[Goodwin-Jones, Aaron] CALTECH, Pasadena, CA 91125 USA.
通讯机构：
[Blair, C ] U;Univ Western Australia, OzGrav, Crawley, WA 6009, Australia.
摘要：
Seismic isolation is crucial for gravitational wave detectors as it minimizes ground vibrations, enabling the detection of faint gravitational wave signals. An active seismic isolation platform for precision measurement experiments is described. The table features piezo actuation along five degrees of freedom: three translation and two tip-tilt degrees of freedom. It is stiff in rotation about the vertical axes. A seismometer is used to sense table motion. Piezo actuators are used to suppress seismic noise with feedback control bandwidth of 0.3-3 Hz. Suppression levels ranging from 21 to 36 dB of seismic noise within the frequency range of 0.5-1.3 Hz are demonstrated, as measured by a witness seismometer on the table, with the suppression direction along the optic axis of the suspended mirror on the table. The suppression results in 1 nm/root Hz residual horizontal motion at 1 Hz. Limitations such as tilt-to-translation coupling that prevent actuation over the desired frequency range are discussed.
关键词：
Image deblurring;self-attention mechanism;lightweight model;hinge loss function
摘要：
The acquisition of clear images is a critical aspect in various fields including computer vision, aerial detection, and medical imaging. The issue of image blur caused by object motion poses a challenge in obtaining clear images. To address this, an improved AT-DGAN network model is proposed in this paper. This model integrates the pyramid generator module of the DeblurGAN-v2 network with a self-attention mechanism. The feature pyramid is employed for image feature extraction and representation, while the self-attention mechanism dynamically adjusts the weight of important features in each pyramid layer and performs weighted fusion, thereby compensating for the information loss during feature extraction in the feature pyramid network. Additionally, a hinge loss function is designed for the proposed model to balance the discriminator and the generator, enhancing the stability and training efficiency of the generative adversarial network. The experimental results show that compared to other algorithms of the same type, this improved algorithm has increased the Peak Signal-to-Noise Ratio (PSNR) and Structural Similarity Index (SSIM) of restored images by 0.58 dB and 1.5%, respectively.
摘要：
We investigated the doping effects of Dy 3+ ions at Er 3+ sites on the anisotropy and magnetic phase transition in ErFeO 3 single crystal under static magnetic fields and pulsed high magnetic fields of up to 58 T. Experimental results show that the Dy 3+ -dopant has weak influence on the interaction between rare earth ions but weakens the interaction energy between Fe-3 d and Er-4 f electrons, shifting the spin reorientation and spin switching transitions to lower temperature region. Interestingly, in the doped system, it can be inferred that a Γ 3 ( C x , F y , A z ) phase emerges additionally to the Γ 4 ( G x , A y , F z ) to Γ 2 ( F x , C y , G z ) spin reorientation transition, and these transitions share the same critical temperature (~88.9 K). Upon further cooling, a spin switching transition, which is similar with the one that shows in the Γ 2 phase, appears within the Γ 3 phase. That is, the rare-earth Dy 3+ ions possess antiparallel magnetic moments against the weak ferromagnetic vector F y of Γ 3 ( C x , F y , A z ) phase, and the direction of the net magnetic moments reverses at ~5.9 K and ~ 31 K in the FC and ZFC processes, respectively. These results indicate that, in the rare-earth orthoferrite R FeO 3 , doping is an effective way to modulate the interactions of Fe 3+ -Fe 3+ , R 3+ - R 3+ and R 3+ -Fe 3+ and to induce magnetic phases.
We investigated the doping effects of Dy 3+ ions at Er 3+ sites on the anisotropy and magnetic phase transition in ErFeO 3 single crystal under static magnetic fields and pulsed high magnetic fields of up to 58 T. Experimental results show that the Dy 3+ -dopant has weak influence on the interaction between rare earth ions but weakens the interaction energy between Fe-3 d and Er-4 f electrons, shifting the spin reorientation and spin switching transitions to lower temperature region. Interestingly, in the doped system, it can be inferred that a Γ 3 ( C x , F y , A z ) phase emerges additionally to the Γ 4 ( G x , A y , F z ) to Γ 2 ( F x , C y , G z ) spin reorientation transition, and these transitions share the same critical temperature (~88.9 K). Upon further cooling, a spin switching transition, which is similar with the one that shows in the Γ 2 phase, appears within the Γ 3 phase. That is, the rare-earth Dy 3+ ions possess antiparallel magnetic moments against the weak ferromagnetic vector F y of Γ 3 ( C x , F y , A z ) phase, and the direction of the net magnetic moments reverses at ~5.9 K and ~ 31 K in the FC and ZFC processes, respectively. These results indicate that, in the rare-earth orthoferrite R FeO 3 , doping is an effective way to modulate the interactions of Fe 3+ -Fe 3+ , R 3+ - R 3+ and R 3+ -Fe 3+ and to induce magnetic phases.
作者机构：
[Jiao, Qian] Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.;[Zhu, Ming; Yu, Haiyang; Ai, Mei] Chinese Acad Sci, Natl Astron Observ, Beijing 100101, Peoples R China.;[Zhu, Ming; Yu, Haiyang] Univ Chinese Acad Sci, Beijing 100049, Peoples R China.;[Zhu, Ming; Ai, Mei] Guizhou Univ, Guizhou Radio Astron Observ, Guiyang 550000, Peoples R China.;[Zhu, Ming; Ai, Mei] Chinese Acad Sci, CAS Key Lab FAST, Natl Astron Observ, Beijing 100101, Peoples R China.
通讯机构：
[Zhu, M ] C;[Jiao, Q ] W;Wuhan Polytech Univ, Sch Elect & Elect Engn, Wuhan 430023, Peoples R China.;Chinese Acad Sci, Natl Astron Observ, Beijing 100101, Peoples R China.;Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
摘要：
We present the results of our recent H i observations conducted on the edge-on galaxy NGC 2683 using the Five-hundred-meter Aperture Spherical radio Telescope (FAST). In comparison to previous observations made by the Very Large Array (VLA), FAST has detected a more extensive distribution of H i. Particularly noteworthy is that the detections made by FAST extend approximately 4 times farther than those of the VLA in the vertical direction from the galactic plane. The total H i flux measured for NGC 2683 amounts to FH i = 112.1 Jy km s-1 (equivalent to a total H i mass of MH i = 2.32 x 109 M circle dot), which is slightly higher than that detected by VLA. FAST has also identified three dwarf galaxies in close proximity to NGC 2683, namely KK 69, NGC 2683dw1, and NGC 2683dw3? (hereafter dw3?). dw3? is situated within the extended H i distribution of NGC 2683 in projection and lies near the tail of KK 69 extending toward NGC 2683. These observations suggest that dw3? is likely a result of the accretion process from NGC 2683 to KK 69. Furthermore, FAST has detected three high-velocity clouds, with complex B potentially undergoing accretion with NGC 2683. Based on the model from B. Vollmer et al. and incorporating the H i halo component, we found that the model with the added H i halo aligns more closely with our FAST observations in NGC 2683. The estimated mass of this H i halo is 3 x 108 M circle dot, constituting approximately 13% of the total H i mass of the galaxy. We suggest that the origination of this H i halo is more likely attributed to external gas accretion.
摘要：
The development of ultra-high-performance sensing materials for monitoring the decomposition products of environmental protection insulating gases (C₄F₇N and C₅F₁₀O) under insulation failure conditions is crucial for ensuring the operational safety of gas-insulated switchgear (GIS). In this study, a Mo₂-embedded C₆N₈ (Mo₂-C₆N₈) monolayer structure (selected by a machine learning driven high-throughput computational strategy) is proposed as a novel two-dimensional sensing substrate. Mo₂ cluster doping endows C₆N₈ with enhanced thermal stability and optimized electronic properties, which are critical for gas adsorption and sensing applications. Adsorption tests show that C₂N₂ and CO exhibit strong interactions with Mo₂-C₆N₈, with adsorption energies of -6.06 and -2.98 eV, respectively. Notably, at the operating temperature threshold, the desorption times for both C₂N₂ and CO exceed 10¹⁶ s, indicating that Mo₂-C₆N₈ can serve as an auxiliary sensing device in sensor arrays to monitor C₂N₂ and CO, or as a pure adsorbent for these two gases. Mechanistic insights obtained through Total Density of States (TDOS), Partial Density of States (PDOS), Charge Density Difference (CDD), Differential Electron Density (DED) and Crystal Orbital Hamilton Population (COHP) analysis reveal orbital hybridization and binding mechanisms between Mo₂-C₆N₈ and the target gases. The significant work function modulation (6.4-8.92%) induced by gas adsorption highlights the potential of this material for Φ-type sensor design. Among the candidate gases, HF shows outstanding monitoring potential due to its high sensitivity, tunable desorption kinetics (microsecond to millisecond scale), and unique applicability in wet insulation defects, which is in line with the requirements for GIS status assessment in wet environments. This study not only deepens the atomic-scale understanding of gas-solid interactions, but also provides a technical roadmap for the design of multifunctional sensors and catalytic systems in power plant diagnostics, while providing relevant evidence to validate the accuracy of machine learning-based screening models.
The development of ultra-high-performance sensing materials for monitoring the decomposition products of environmental protection insulating gases (C₄F₇N and C₅F₁₀O) under insulation failure conditions is crucial for ensuring the operational safety of gas-insulated switchgear (GIS). In this study, a Mo₂-embedded C₆N₈ (Mo₂-C₆N₈) monolayer structure (selected by a machine learning driven high-throughput computational strategy) is proposed as a novel two-dimensional sensing substrate. Mo₂ cluster doping endows C₆N₈ with enhanced thermal stability and optimized electronic properties, which are critical for gas adsorption and sensing applications. Adsorption tests show that C₂N₂ and CO exhibit strong interactions with Mo₂-C₆N₈, with adsorption energies of -6.06 and -2.98 eV, respectively. Notably, at the operating temperature threshold, the desorption times for both C₂N₂ and CO exceed 10¹⁶ s, indicating that Mo₂-C₆N₈ can serve as an auxiliary sensing device in sensor arrays to monitor C₂N₂ and CO, or as a pure adsorbent for these two gases. Mechanistic insights obtained through Total Density of States (TDOS), Partial Density of States (PDOS), Charge Density Difference (CDD), Differential Electron Density (DED) and Crystal Orbital Hamilton Population (COHP) analysis reveal orbital hybridization and binding mechanisms between Mo₂-C₆N₈ and the target gases. The significant work function modulation (6.4-8.92%) induced by gas adsorption highlights the potential of this material for Φ-type sensor design. Among the candidate gases, HF shows outstanding monitoring potential due to its high sensitivity, tunable desorption kinetics (microsecond to millisecond scale), and unique applicability in wet insulation defects, which is in line with the requirements for GIS status assessment in wet environments. This study not only deepens the atomic-scale understanding of gas-solid interactions, but also provides a technical roadmap for the design of multifunctional sensors and catalytic systems in power plant diagnostics, while providing relevant evidence to validate the accuracy of machine learning-based screening models.
作者：
Mou, Yi;Zhou, Long;Chen, Weizhen;Liu, Jianguo;Li, Teng
期刊：
Algorithms,2025年18(7):424- ISSN：1999-4893
通讯作者：
Yi Mou
作者机构：
[Chen, Weizhen; Liu, Jianguo; Li, Teng] School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430024, China;[Zhou, Long] School of Mechanical Engineering, Wuhan Polytechnic University, Wuhan 430024, China;Author to whom correspondence should be addressed.;[Mou, Yi] School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430024, China<&wdkj&>Author to whom correspondence should be addressed.
通讯机构：
[Yi Mou] S;School of Electrical and Electronic Engineering, Wuhan Polytechnic University, Wuhan 430024, China<&wdkj&>Author to whom correspondence should be addressed.
关键词：
partial least squares;regression analysis;filter learning;content prediction
摘要：
Partial Least Squares (PLS) regression has been widely used to model the relationship between predictors and responses. However, PLS may be limited in its capacity to handle complex spectral data contaminated with significant noise and interferences. In this paper, we propose a novel filter learning-based PLS (FPLS) model that integrates an adaptive filter into the PLS framework. The FPLS model is designed to maximize the covariance between the filtered spectral data and the response. This modification enables FPLS to dynamically adapt to the characteristics of the data, thereby enhancing its feature extraction and noise suppression capabilities. We have developed an efficient algorithm to solve the FPLS optimization problem and provided theoretical analyses regarding the convergence of the model, the prediction variance, and the relationships among the objective functions of FPLS, PLS, and the filter length. Furthermore, we have derived bounds for the Root Mean Squared Error of Prediction (RMSEP) and the Cosine Similarity (CS) to evaluate model performance. Experimental results using spectral datasets from Corn, Octane, Mango, and Soil Nitrogen show that the FPLS model outperforms PLS, OSCPLS, VCPLS, PoPLS, LoPLS, DOSC, OPLS, MSC, SNV, SGFilter, and Lasso in terms of prediction accuracy. The theoretical analyses align with the experimental results, emphasizing the effectiveness and robustness of the FPLS model in managing complex spectral data.
关键词：
MoTe2;Lung cancer VOCs;gas-sensitive material;DFT
摘要：
Lung cancer has become one of the deadliest and most prevalent cancers worldwide, and the use of gas sensors to detect volatile organic compounds (VOCs) in the exhaled breath of lung cancer patients is gaining increasing popularity. Compared with traditional medical diagnostic methods, this method is cost-effective and less invasive. During our experiments, we employ density functional theory to explore how transition metal (Cu, Pd, Pt)-doped MoTe₂ single-molecule membranes respond to VOCs commonly found in the exhalation gas of patients with lung cancer in the early stages of the disease. All three modified systems exhibited excellent thermal stability, and the sorption of VOCs is significantly enhanced compared to the pristine MoTe₂, ensuring effective desorption and sensing performance at elevated temperatures. Moreover, the changes in the band gap before and after adsorption are notably distinct, indicating strong gas sensitivity. Among the doped structures, MoTe₂-Cu shows the highest adsorption capacity for C₅H₈, C₃H₆O, and C₃H₈O, accompanied by the largest change in the band gap. Due to the varying sensitivities of the three lung cancer biomarker sensors to different gases, cross-sensitivity can be minimised, highlighting the potential for qualitative analysis of VOC gas mixtures. This offers new insights and methods for the early detection and prevention of lung cancer.
Lung cancer has become one of the deadliest and most prevalent cancers worldwide, and the use of gas sensors to detect volatile organic compounds (VOCs) in the exhaled breath of lung cancer patients is gaining increasing popularity. Compared with traditional medical diagnostic methods, this method is cost-effective and less invasive. During our experiments, we employ density functional theory to explore how transition metal (Cu, Pd, Pt)-doped MoTe₂ single-molecule membranes respond to VOCs commonly found in the exhalation gas of patients with lung cancer in the early stages of the disease. All three modified systems exhibited excellent thermal stability, and the sorption of VOCs is significantly enhanced compared to the pristine MoTe₂, ensuring effective desorption and sensing performance at elevated temperatures. Moreover, the changes in the band gap before and after adsorption are notably distinct, indicating strong gas sensitivity. Among the doped structures, MoTe₂-Cu shows the highest adsorption capacity for C₅H₈, C₃H₆O, and C₃H₈O, accompanied by the largest change in the band gap. Due to the varying sensitivities of the three lung cancer biomarker sensors to different gases, cross-sensitivity can be minimised, highlighting the potential for qualitative analysis of VOC gas mixtures. This offers new insights and methods for the early detection and prevention of lung cancer.
摘要：
This study focuses on the detection requirements for breakdown products (HF, SO(2), SO(2)F(2), and CF(4)) produced by the partial discharge of the innovative, environmentally friendly insulating gas CF(3)SO(2)F in high-voltage electrical apparatus. A doping modification technique utilizing a metal oxide (ZnO/TiO(2)) based on two-dimensional MoTe(2) is proposed. The method for enhancing gas sensing is being systematically investigated through multiscale theoretical computations. Molecular dynamics simulations are initially utilized to ascertain the structural stability of the doped systems, confirming that ZnO-MoTe(2) and TiO(2)-MoTe(2) maintain robust structural integrity in a thermodynamic equilibrium condition. Subsequently, density functional theory is utilized to compare and analyze the adsorption behaviors of the intrinsic MoTe(2) and its doped systems toward the four characteristic decomposition products. The findings indicate that doping ZnO markedly improves MoTe(2)'s adsorption capacity for SO(2). Adsorption configuration analysis reveals that doping strengthens the interactions between the material surface and SO(2) molecules. Electronic structure estimates suggest significant charge transfer and band structure modifications throughout the adsorption process. The density of electronic states in the ZnO-MoTe(2) combination exhibits significant variation, indicating that the chemical adsorption of SO(2) is predominant. Additionally, the TiO(2)-doped system shows a selective adsorption tendency for acidic gases such as HF. The comparison of total electron density and differential charge density distributions demonstrates that the charge redistribution at the interface, generated by doping, is the crucial factor enhancing gas adsorption performance. This work reveals, at the atomic scale, the mechanism by which metal oxide doping modulates the gas-sensing properties of MoTe(2), providing a theoretical foundation for developing highly selective gas sensors for detecting CF(3)SO(2)F decomposition products.
关键词：
deep learning;cotton pests and diseases;lightweight model;C2f
摘要：
To address the challenges of detecting cotton pests and diseases in natural environments, as well as the similarities in the features exhibited by cotton pests and diseases, a Lightweight Cotton Disease Detection in Natural Environment (LCDDN-YOLO) algorithm is proposed. The LCDDN-YOLO algorithm is based on YOLOv8n, and replaces part of the convolutional layers in the backbone network with Distributed Shift Convolution (DSConv). The BiFPN network is incorporated into the original architecture, adding learnable weights to evaluate the significance of various input features, thereby enhancing detection accuracy. Furthermore, it integrates Partial Convolution (PConv) and Distributed Shift Convolution (DSConv) into the C2f module, called PDS-C2f. Additionally, the CBAM attention mechanism is incorporated into the neck network to improve model performance. A Focal-EIoU loss function is also integrated to optimize the model’s training process. Experimental results show that compared to YOLOv8, the LCDDN-YOLO model reduces the number of parameters by 12.9% and the floating-point operations (FLOPs) by 9.9%, while precision, mAP@50, and recall improve by 4.6%, 6.5%, and 7.8%, respectively, reaching 89.5%, 85.4%, and 80.2%. In summary, the LCDDN-YOLO model offers excellent detection accuracy and speed, making it effective for pest and disease control in cotton fields, particularly in lightweight computing scenarios.
关键词：
GPd(2)/MoS2;Interfacial regulation;Adsorption;Multiphysics field
摘要：
As a promising eco-friendly alternative to SF 6 , heptafluoroisobutyronitrile (C 4 F 7 N) faces critical challenges in practical applications within high-voltage insulation equipment, primarily due to the difficulties in real-time monitoring and treatment of its decomposition byproducts. This study presents a comprehensive investigation into the specific gas sensing mechanisms for C 4 F 7 N decomposition products through the construction of a vertically aligned G Pd2 /MoS 2 heterojunction (G Pd2 /MoS 2 ) under multiphysical field coupling. The novel Nanocomposites based on G Pd2 /MoS 2 heterostructure demonstrates remarkable anisotropic carrier transport behavior (I ver /I hor = 1.65 at U = 0.6 V) while maintaining exceptional thermal stability (T > 500 K) and strong electric field tolerance (E max = 0.5 V/Å). Furthermore, this architecture exhibits promising potential for applications in field-effect transistors, high-frequency nanoelectronic devices, photocatalysis, and thermoelectric conversion. Gas sensing characterization reveals that the sensor achieves a remarkable current response rate of 48% towards CO under a bias voltage of 0.9 V. The dynamic response characteristics can be precisely modulated through a synergistic multiphysical field regulation strategy. Under micro-aqueous environments (nH 2 O = 0-5), the theoretical desorption time can be significantly reduced through the reduction of desorption activation energy (ΔE a = 0.17 eV). Biaxial strain (ε max = 4.38%) induces bandgap modulation (ΔE g = 0.023 eV), optimizing the density of sensitive interface states. The synergistic effect of external electric field (↓E z = 0.5 V/Å) and additional net charge (1e) significantly enhances the CO adsorption energy (E ads = -2.54 eV). This study provides interfacial engineering design for developing adaptive gas sensors under complex working conditions, offers novel insights for hazardous gas treatment and the development of new adsorption materials, and establishes a new paradigm for understanding multiphysical field regulation mechanisms.
As a promising eco-friendly alternative to SF 6 , heptafluoroisobutyronitrile (C 4 F 7 N) faces critical challenges in practical applications within high-voltage insulation equipment, primarily due to the difficulties in real-time monitoring and treatment of its decomposition byproducts. This study presents a comprehensive investigation into the specific gas sensing mechanisms for C 4 F 7 N decomposition products through the construction of a vertically aligned G Pd2 /MoS 2 heterojunction (G Pd2 /MoS 2 ) under multiphysical field coupling. The novel Nanocomposites based on G Pd2 /MoS 2 heterostructure demonstrates remarkable anisotropic carrier transport behavior (I ver /I hor = 1.65 at U = 0.6 V) while maintaining exceptional thermal stability (T > 500 K) and strong electric field tolerance (E max = 0.5 V/Å). Furthermore, this architecture exhibits promising potential for applications in field-effect transistors, high-frequency nanoelectronic devices, photocatalysis, and thermoelectric conversion. Gas sensing characterization reveals that the sensor achieves a remarkable current response rate of 48% towards CO under a bias voltage of 0.9 V. The dynamic response characteristics can be precisely modulated through a synergistic multiphysical field regulation strategy. Under micro-aqueous environments (nH 2 O = 0-5), the theoretical desorption time can be significantly reduced through the reduction of desorption activation energy (ΔE a = 0.17 eV). Biaxial strain (ε max = 4.38%) induces bandgap modulation (ΔE g = 0.023 eV), optimizing the density of sensitive interface states. The synergistic effect of external electric field (↓E z = 0.5 V/Å) and additional net charge (1e) significantly enhances the CO adsorption energy (E ads = -2.54 eV). This study provides interfacial engineering design for developing adaptive gas sensors under complex working conditions, offers novel insights for hazardous gas treatment and the development of new adsorption materials, and establishes a new paradigm for understanding multiphysical field regulation mechanisms.
